Peer Review Publications

Book Chapter

Kathleen O’Malley, Wiebke Reimann and Teresa Curtin. 2010. Chapt. 15. Recent Advances in the Preparation and Application of Mesoporous Aluminophosphate-Based Materials in "Pillared Clays and Related Catalysts". Ed.s A.Gil, S.A. Korili, R. Trujillano and M. A. Vicente. Springer NewYork, Dordrecht, Heidelberg, London.

ISBN 978-1-4419-6669-8 Link to Publisher

Peer-Reviewed Papers

2015

Perspectives on molecular simulation of clathrate hydrates: Progress, prospects and challenges

Niall J. English and J.M.D MacElroy (2015) Chemical Engineering Science, 121: 133-156

DOI: 10.106/j.ces.2014.07.047 [online publication 01/08/2014] Journal Link

2014

Routes to visible light active C-doped TiO2 photocatalysts using carbon atoms from the Ti precursors

James A. Sullivan, Elaine M. Neville, Rory Herron, K Ravinandrathan Thampi, J.M. Donal MacElroy (2014) Journal of Photochemistry and Photobiology A: Chemistry, 289:60-65

DOI:10.1016/j.jphotochem.2014.05.009 [published 01/09/2014] Journal Link

Perspectives on Molecular Simulation of Clathrate Hydrates: Progress, Prospects and Challenges

Niall English and JMD MacElroy (2014) Chemical Engineering Science, In Press

DOI: 10.1016/j.ces.2014.07.047 [online publication 01/08/2014] Journal Link

Theoretical studies on separation of cis–trans isomers using dinuclear metal (Cu+2 and Zn+2) cryptates

S. Bandaru, N.J. English and J.M.D. MacElroy (2014) Journal of Molecular Modeling, 20:2328

DOI: 10.1007/s00894-014-2328-z [online publication 27/06/2014] Journal Link

Density functional theory calculations of catalytic mechanistic pathways for the formation of O2 involving Triazolylidene Iridium Complexes

S. Bandaru, N.J. English and J.M.D. MacElroy (2014) New Journal of Chemistry, 38:4060-4070

DOI: 10.1039/C4NJ00321G  [online publication 28/05/2014] Journal Link

Influence of microwave plasma pre-treatments of TiO2 electrodes on dye-sensitized solar cell efficiencies

Stephen Sheehan, K. Ravindranathan Thampi, Denis P. Dowling (2014) Journal of Electroanalytical Chemistry, 725: 12-18

DOI: 10.1016/j.jelechem.2014.04.024 [online publication 10/05/2014] Journal Link

BaTiO3 photoelectrodes for CdS quantum dot sensitized solar cells

Ke Meng, Praveen K. Surolia and   K. Ravindranathan Thampi (2014) Journal of Materials Chemistry A, 2 (26): 10231-10238

DOI: 10.1039/C4TA00877D  [online publication 14/04/2014] Journal Link

Persepctives on atmospheric CO2 fixation in inorganic and biomimetic structures

Niall J English, Morad M El-Hendawy, Damian A. Mooney, J.M.D. MacElroy (2014) Coordination Chemistry Reviews, 269: 85-95

DOI: 10.1016/j.ccr.2014.02.015 [online publication 28/02/2014] Journal Link

Photo-active and Dynamical Properties of Hematite (Fe2O3)-Water Interfaces: An Experimental and Theoretical Study

N.J. English, M. Rahman, N. Wadnerkar, and J.M.D. MacElroy (2014) PhysChemChemPhys, 16: 14445-14454

DOI: 10.1039/C3CP54700K [online publication 14/02/2014] Journal Link

Beta-Diketiminato Complexes of Groups 3 to 5

A.D. Phillips (2014) Royal Chemical Society: Specialist Periodical Reports: Organo-metallic Chemistry, 39, 72-147

DOI: 10.1039/9781849737692-00072

Low toxicity functionalised imidazolium salts for task specific ionic liquid electrolytes in dye-sensitised solar cells: a step towards less hazardous energy production

Mukund Ghavre, Owen Byrne, Lena Altes, Praveen K. Surolia, Marcel Spulak,   Brid Quilty, K. Ravindranathan Thampi and  Nicholas Gathergood (2014) Green Chemistry, 16 (4): 2252-2265

DOI: 10.1039/C3GC42393J [online publication 07/02/2014] Journal Link

Towards the design of novel boron- and nitrogen-substituted ammonia-borane and bifunctional arene ruthenium catalysts for hydrogen storage

Sateesh Bandaru, Niall J. English, Andrew D. Phillips, J.M.D. MacElroy (2014) Journal of Computational Chemistry, 35 (12): 891-903

DOI: 10.1002/jcc.23534 [online publication 05/02/2014] Journal Link

Phase-transition-driven growth of compound semiconductor crystals from ordered metastable nanorods

R. Mainz, A. Singh, S. Levcenko,   M. Klaus, C. Genzel, K. M. Ryan & T. Unold (2014) Nature Communications, 5: 3133

DOI: doi:10.1038/ncomms4133 [online publication 22/01/2014] Journal Link

Implicit and explicit solvent models for modeling a bifunctional arene ruthenium hydrogen-storage catalyst: A classical and ab initio molecular simulation study

Sateesh Bandaru, Niall J English, J.M.D MacElroy (2014) Journal of Computational Chemistry, 35 (9): 683 - 691

DOI: 10.1002/jcc.23514  [online publication 04/01/2014] Journal Link

The influence of Ti- and Si-doping on the structure, morphology and photo-response properties of a-Fe2O3 for efficient water-splitting: Insights from experiment and first-principles calculations

Mahfujur Rahman, Nitin Wadnerkar, Niall J. English, J.M.D. MacElroy (2014) Chemical Physics Letters, 592: 242-246

DOI: 10.1016/j.cplett.2013.12.021 [online publication 19/12/2013] Journal Link

Probing the redox states at the surface of electroactive nanoporous NiO thin films

Andrea G. Marrani, Vittoria Novelli, Stephen Sheehan, Denis P. Dowling and Danilo Dini (2014) ACS Applied Materials and Interfaces, 6 (1): 143-152

DOI: 10.1021/am403671h  [online publication 10/12/2013] Journal link

Serendipity following attempts to prepare C-doped rutile TiO2

James A. Sullivan, Elaine M. Neville, Julia Ziegler, J. M. Don MacElroy and K. Ravindranathan Thampi (2014) Applied Catalysis A: General, 470: 434-441

DOI: 10.1016/j.apcata.2013.11.024 [online publication 27/11/2013] Journal Link

Fabrication of Efficient NiO Photocathodes Prepared via RDS with Novel Routes of Substrate Processing for p-Type Dye-Sensitized Solar Cells

Muhammad Awais, Elizabeth Gibson, Johannes G. Vos, Denis P. Dowling, Anders Hagfeldt and Danilo Dini (2014) ChemElectroChem, 1 (2): 384-391

DOI: 10.1002/celc.201300178 [online publication 20/11/2013] Journal Link

Bimetallic Iridium–Carbene Complexes with Mesoionic Triazolylidene Ligands for Water Oxidation Catalysis

Ana Petronilho, James A. Woods, Stefan Bernhard and Martin Albrecht (2014) European Journal of Inorganic Chemistry, 4: 708-714

DOI: 10.1002/ejic.201300843 [online publication 30/08/2013] Journal Link

2013

Synthesis, Characterization and Reactivity of the First Osmium β-Diketiminato Complexes and Application in Catalysis

Schreiber, D.F., O'Connor, C., Grave, C., Müller-Bunz, H., Scopelliti, R., Dyson, P. J., Phillips, A.D. (2013) Organometallics, 32 (24): 7345-7356

DOI: 10.1021/om400875r  [online publication 27/11/2013] Journal Link

Highly efficient broadband ultrafast plasmonics

Brian Ashall, José Francisco López-Barberá, Éadaoin McClean-Ilten, and Dominic Zerulla (2013) Optics Express, 21 (22): 27383-27391

DOI: 10.1364/OE.21.027383 [published 04/11/2013] Journal Link

Efficient CdS quantum dot sensitized solar cells made using novel Cu2S counter electrode

Ke Meng, Praveen K. Surolia, Owen Byrne, K. Ravindranathan Thampi (2014) Journal of Power Sources, 248: 218-223

DOI: 10.1016/j.jpowsour.2013.09.004 [online publication 21/09/2013] Journal Link

Colloidal synthesis of homogeneously alloyed CdSexS1−x nanorods with compositionally tunable photoluminescence

Singh, S. Singh, A. Palaniappanan, K. Ryan, K. M. (2013) Chemical Communications, 49: 10293-10295

DOI: 10.1039/C3CC45497E  [online publication 10/09/2013] Journal Link

Visible light active C-doped titanate nanotubes prepared via alkaline hydrothermal treatment of C-doped nanoparticulate TiO2: Photo-electrochemical and photocatalytic properties

Elaine M. Neville, J.M. Don MacElroy, K. Ravindranathan Thampi, James A. Sullivan (2013) Journal of Photochemistry and Photobiology A: Chemistry, 267: 17-24.

DOI: 10.1016/j.jphotochem.2013.06.008  [online publication  24/06/2013] Journal Link

Compositionally Tunable Photoluminescence Emission in Cu2ZnSn(S1−xSex)4 Nanocrystals

Singh, A., Singh, S., Levcenko, S., Unold, T., Laffir, F., Ryan, K. M. (2013) Angewandte Chemie International Editio, 52 (35): 9120-9124

DOI: 10.1002/anie.201302867  [online publication 08/06/2013] Journal Link

Effect of space linkers in dinuclear copper cryptates on the efficiency of atmospheric CO2 uptake: a DFT study

Morad M. El-Hendawy,  Sateesh Bandaru, Niall J. English and Damian A. Mooney (2013) Catalysis Science & Technology, 3: 2234-2243

DOI: 10.1039/C3CY20608D  [online publication 31/05/2013] Journal Link

Optimisation of Ruthenium Dye Sensitised Solar Cells Efficiency via Sn Diffusion into the TiO2 Mesoporous Layer

Codrin Andrei and Dominic Zerulla (2013) PLoS One, 8(5): e63923.

DOI: 10.1371/journal.pone.0063923 [published online 21/05/2013] Journal Link

Colloidal Synthesis of Cu2SnSe3Tetrapod Nanocrystals

Jianjun Wang, Ajay Singh, Pai Liu, Shalini Singh, Claudia Coughlan, Yina Guo, and Kevin M Ryan (2013) J. Am. Chem. Soc., 135 (21): 7835−7838

DOI: 10.1021/ja403083p [published 10/05/2013] Journal Link

Aromatic ring size effects on the photophysics and photochemistry of styrylbenzothiazole

M.K. Awad, T.A. Fayed, S.H. Etaiw , M.M. El-Hendawy and N.J. English (2013) Photochemical & Photobiological Sciences, 12 (7): 1220-1231

DOI: 10.1039/C3PP25367H  [published online 08/05/2013] Journal Link

Crystallization of Semiconductor Nanorods into Perfectly Faceted Hexagonal Superstructures

Ajay Singh, Kevin M. Ryan (2013) Particle and Particle Systems Characterisation In Press

DOI:  10.1002/ppsc.201300008 [online publication: 24/04/2013] Journal Link

Atomically Abrupt Silicon–Germanium Axial Heterostructure Nanowires Synthesized in a Solvent Vapor Growth System

Hugh Geaney, Emma Mullane, Quentin M. Ramasse, and Kevin M. Ryan (2013) Nano Letters, 13 (4):1675–1680

DOI: 10.1021/nl400146u  [online publication 21/03/2013] Journal Link

Diffusive hydrogen inter-cage migration in hydrogen and hydrogen-tetrahydrofuran clathrate hydrates

H. Cao, N.J. English and J.M.D. MacElroy (2013) Journal of Chemical Physics,138 (9): 094507

DOI: 10.1063/1.4793468 [online publication: 07/03/2013] Journal Link

Imidazolium and Pyridinium Ionic Liquids from Mandelic Acid Derivatives: Synthesis and Bacteria and Algae Toxicity Evaluation

Sónia P. M. Ventura, Monika Gurbisz, Mukund Ghavre, Fábio M. M. Ferreira, Fernando Gonçalves, Ian Beadham, Brid Quilty, João A. P. Coutinho, and Nicholas Gathergood (2013) ACS Sustainable Chemistry and Engineering, 1 (4): 393–402

DOI: 10.1021/sc3001299  [online publication 27/02/2013] Journal Link

Systematic Study into the Synthesis and Shape Development in Colloidal CuInxGa1−xS2 Nanocrystals

Claudia Coughlan, Ajay Singh, and Kevin M. Ryan (2013) Chem. Mater., 25 (5):653–661

DOI: 10.1021/cm302597x [online publication 18/02/2013] Journal Link

Comparative studies for evaluation of CO2 fixation in the cavity of the Rubisco enzyme using QM, QM/MM and linear-scaling DFT methods

Morad M. El-Hendawy, Niall J. English & Damian A. Mooney (2013) Journal of Molecular Modeling, 19(6): 2329-2334

DOI: 10.1007/s00894-013-1773-4 [online publication 08/02/2013] Journal Link

Magnetic-Plasmonic Dual Modulated FePt-Au Ternary Heterostructured Nanorods as a Promising Nano-Bioprobe

Yong Zhang,* Qian Wang, Brian Ashall, Dominic Zerulla, and Gil U Lee (2013) Advanced Materials, 25 (4): 502-502

correction to DOI: 10.1002/201103991 [online publication 18/01/2013]

Achieving enhanced DSSC performance by microwave plasma incorporation of carbon into TiO2 photoelectrodes

Binh H.Q. Dang, Don MacElroy, Denis P. Dowling (2013) Applied Surface Science, 275, 289-294

DOI: 10.1016/j.apsusc.2012.12.121  [online publication 29/12/2012] Journal Link  Open Access Link

Functional Assessment for Predicting Charge-Transfer Excitations of Dyes in Complexed State: A Study of Triphenylamine-Donor Dyes on Titania for Dye-Sensitized Solar Cell

Pratibha Dev, Saurabh Agrawal  and Niall J. English (2013) Journal of Physical Chemistry A, 117 (10): 2114-2124

DOI: 10.1021/jp306153e  [online publication 13/12/2012] Journal Link

Fabrication of noble metal-semiconductor hybrid  nanostructures using phase transfer

Tanushree Bala, Ajay Singh, Ambarish Sanyal, Catriona O’Sullivan, Fathima Laffir, Claudia Coughlan, and Kevin M. Ryan (2013) Nano Research, 6 (2): 121-130

DOI: 10.1007/s12274‐013‐0287‐9  online publication [12/12/2012] Journal Link

Dye sensitised solar cells with nickel oxide photocathodes prepared via scalable microwave sintering

Elizabeth A. Gibson, Muhammad Awais,  Danilo Dini, Denis P. Dowling, Mary T. Pryce, Johannes G. Vos, Gerrit Boschloof and Anders Hagfeldt (2012) Physical Chemistry Chemical Physics, 15 (7): 2411 - 2420

10.1039/C2CP43592F   [online publication: 06/12/2012] Journal Link   Open Access Link

Electrochemical characterization of NiO electrodes deposited via a scalable powder microblasting technique

Muhammad Awais, Danilo Dini, J.M. Don MacElroy, Yvonne Halpin, Johannes G. Vos, Denis P. Dowling (2013) Journal of Electroanalytical Chemistry, 689: 185-192

DOI: 10.1016/j.jelechem.2012.11.025  [online publication 01/12/2012] Journal Link  Open Access Link

Spray-deposited NiOx films on ITO substrates as photoactive electrodes for p-type dye-sensitized solar cells

Muhammad Awais,  Denis D. Dowling, Mahfujur Rahman, Johannes G. Vos, Franco Decker, Danilo Dini (2013) Journal of Applied Electrochemistry, 43:191–197

DOI:  10.1007/s10800-012-0506-1 [online publication 30/11/2012] Journal Link  Open Access Link

Highly Ordered Nanorod Assemblies extending over device scale areas and in controlled multilayers by Electrophoretic Deposition

A.J. Singh, N.J. English, and K.M. Ryan (2013) Journal of Physical Chemistry B, 117 (6):1608-1615

DOI: 10.1021/jp305184n  [online publication 26/10/2012] Journal Link

Porous “sponge-like” anatase TiO2 via polymer templates: synthesis, characterization, and performance as a light-scattering material

Lukasz Szymanski, Praveen Surolia, Owen Byrne, K. Ravindranathan Thampi and Cosima Stubenrauch (2013) Colloid and Polymer Science, 219 (4): 805-815

DOI: 10.1007/s00396-012-2792-x [online publication 19/09/2012] Journal Link

Tethering of Dinuclear Complexes to SBA-15 and Their Application in CO2 Hydrogenation

Grace G. Morgan, Kevin Fennell, M. Jhansi L. Kishore, James A. Sullivan (2013) ChemCatChem, 5 (4): 951-958

DOI: 10.1002/cctc.201200167  [online publication  07/08/2012] Journal Link Open Access Link

2012

Resonance-Raman microspectroscopy for quality assurance of dye-sensitized NiOx films with respect to dye desorption kinetics in water

Maximilian Brautigam, Martin Schulz, Jane Inglis, Jurgen Popp, Johannes G. Vos and Benjamin Dietzek (2012) Physical Chemistry Chemical Physics, 14 (43): 15185-90

DOI: 10.1039/c2cp42938a  [published: 21/11/2012] Journal Link

Growth of Crystalline Copper Silicide Nanowires in High Yield within a High Boiling Point Solvent System

Hugh Geaney, Calum Dickinson, Colm O’Dwyer, Emma Mullane, Ajay Singh, and Kevin M. Ryan (2012) Chemistry of Materials, 24 (22): 4319–4325

DOI: 10.1021/cm302066n [published 29/10/2012] Journal Link

Application of β-Diketiminato-Arene Substituted Ru(II) Complexes in Highly Efficient H2 Decoupling of B-N Substrates

Dominique F. Schreiber, Crystal O’Connor, Christian Grave, Yannick Ortin, Helge Müller-Bunz, and Andrew D. Phillips (2012) ACS Catalysis, 2, 2505–2511

DOI: 10.1021/cs300499d [online publication 18/10/2012] Journal Link

Polarization dependant scattering as a tool to retrieve the buried phase information of surface plasmon polaritons

S. Crosbie, E. McClean, and D. Zerulla (2012) Applied Physics Letters, 101, 161603

DOI: 10.1063/1.4761476  [online publication 17/10/2012] Journal Link

Spatial distribution of water monolayers at the TiO2 rutile and anatase interfaces

Ritwik S. Kavathekar, Niall J. English and J.M.D. MacElroy (2012) Chemical Physics Letters, 554, 102-106

DOI: 10.1016/j.cplett.2012.10.004  [online publication 17/10/2012] Journal Link

Diffusion and Interactions of Carbon Dioxide and Oxygen in the Vicinity of the Active Site of Rubisco: Molecular Dynamics and Quantum Chemical Studies

Morad M. El-Hendawy, José-Antonio Garate, Niall J. English, Stephen O’Reilly, Damian A. Mooney (2012) Journal of Chemical Physics,137 (14): 145103  

DOI: 10.1063/1.4757021 [online publication 09/10/2012] Journal Link

Wavelength dependent photocatalytic H2 generation using iridium–Pt/Pd complexes

Suraj Soman, Gurmeet Singh Bindra, Avishek Paul, Robert Groarke, Jennifer C. Manton, Finn M. Connaughton, Martin Schulz, Danilo Dini, Conor Long, Mary T. Pryce and Johannes G. Vos (2012) Dalton Transactions, 41, 12678-12680

DOI: 10.1039/C2DT32028B [online publication 06/09/2012] Journal Link

Influence of doping on the photoactive properties of magnetron-sputtered titania coatings: Experimental and theoretical study

Kevin A. McDonnell, Niall J. English, Mahfujur Rahman, and Denis P. Dowling (2012) Physical Review B, 86, 115306

DOI: 10.1103/PhysRevB.86.115306 [published 05/09/2012] Journal Link

Photo-induced Charge Separation across the Graphene−TiO2 Interface Is Faster than Energy Losses: A Time-Domain ab initio Analysis

Run Long, Niall J. English, and Oleg V. Prezhdo (2012) JACS, 134(34): 14238-14248

DOI: 10.1021/ja3063953 [published 10/08/2012]

Perspectives on ab initio molecular simulation of excited-state properties of organic dye molecules in dye-sensitised solar cells

Saurabh Agrawal,  Niall J. English,  K. Ravindranathan Thampi and J. M. D. MacElroy (2012) PhysChemChemPhys., 14,12044–12056  

DOI: 10.1039/C2CP42031G   [online publication 31/07/2012] Journal Link

Carbon Doped TiO2 and Carbon, Tungsten Co-Doped TiO2 Through Sol-Gel Processes in the Presence of Melamine Borate: Reflections Through Photocatalysis

Elaine Neville, Michael Mattle, David Loughrey, Bashyam Rajesh, Mahfujur Rahman, JM Don MacElroy, James Sullivan, K. Ravindranathan Thampi (2012) Journal of Physical Chemistry C,116 (31):16511–16521 

DOI: 10.1021/jp303645p  [online publication 13/07/2012] Journal Link Open Access Link

Assembly of CuIn1‑xGaxS2 Nanorods into Highly Ordered 2D and 3D Superstructures

Ajay Singh, Claudia Coughlan, Fathima Laffir, and Kevin M. Ryan (2012) ACS Nano, 6 (8): 6977–6983

DOI: 10.1021/nn301999b  [online publication 05/07/2012] Journal Link

Mesoionic oxides: facile access from triazolium salts or triazolylidene copper precursors, and catalytic relevance

Ana Petronilho, Helge Muller-Bunz and Martin Albrecht (2012) Chemical Communications, 48 (52): 6499–6501

DOI: 10.1039/c2cc32843g  [published 04/07/2012] Journal Link

Evaluation of Microwave Plasma Sintering for the Fabrication of Dye Sensitized Solar Cell (DSSC) Electrodes

Dembele, A., Rahman, M., MacElroy, J. M. D., Dowling, D. P. (2012) Journal of Nanoscience and Nanotechnology, 12 (6): 4769-4774

DOI: 10.1166/jnn.2012.4927 [published June 2012]

Effect of Doping (C or N) and Co-Doping (C+N) on the Photoactive Properties of Magnetron Sputtered Titania Coatings for the Application of Solar Water-Splitting
Rahman, M., Dang, B. H. Q., McDonnell, K., MacElroy, J. M. D., Dowling, D. P. (2012) Journal of Nanoscience and Nanotechnology, 12 (6): 4729-4735
DOI: 10.1166/jnn.2012.4897 [published June 2012]

The role of bridging ligand in hydrogen generation by photocatalytic Ru/Pd assemblies

Gurmeet. S. Bindra, Martin Schulz, Avishek Paul, Robert Groarke, Suraj Soman, Jane L. Inglis, Wesley R. Browne, Michael Pfeffer, Sven Rau, Brian J. MacLean, Mary.T. Pryce and Johannes. G. Vos (2012) Dalton Transactions, 41, 13050-13059

DOI: 10.1039/C2DT30948C [online publication 18/06/2012] Journal Link

Determining the appropriate exchange-correlation functional for time-dependent density functional theory studies of charge-transfer excitations in organic dyes

Pratibha Dev, Saurabh Agrawal, and Niall J. English (2012) Journal of Chemical Physics, 136, 224301

DOI: 10.1063/1.4725540 [online publication 08/06/2012] Journal Link

Photolytic water oxidation catalyzed by a molecular carbene iridium complex

Ana Petronilho, Mahfujur Rahman, James A. Woods,  Haris Al-Sayyed,  Helge Müller-Bunz, Don J MacElroy, Stefan Bernhard and Martin Albrecht (2012) Dalton Transactions, 41, 13074–13080

DOI: 10.1039/C2DT30403A  [online publication 16/05/2012] Journal Link

Electrocatalytic Pathways towards sustainable fuel production from water and CO2

Jane Inglis, Brian J. MacLean, Mary T. Pryce, Johannes G. Vos (2012) Coordination Chemistry Reviews, 256 (21-22): 2571–2600

DOI: 10.1016/j.ccr.2012.05.002  [online publication 14/05/2012] Journal Link

High Density Growth of Indium seeded Silicon Nanowires in the Vapor phase of a High Boiling Point Solvent

Hugh Geaney, Tadhg Kennedy, Calum Dickinson, Emma Mullane, Ajay Singh, Fathima Laffir, and Kevin M. Ryan (2012) Chemistry of Materials, 24 (11): 2204–2210.

DOI: 10.1021/cm301023j  [online publication 07/05/2012] Journal Link

Band gap engineering of (N, Si)-codoped TiO2 from hybrid density functional theory calculations

Run Long and Niall J English (2012) New Journal of Physics, 14, 053007 DOI:10.1088/1367-2630/14/5/053007 [online publication 07/05/2012]

Hydrogen bond dynamical properties of adsorbed liquid water monolayers with various TiO2 interfaces

Niall J. English, Ritwik S. Kavathekar and J.M.D. MacElroy (2012) Molecular Physics, In Press

DOI: 10.1080/00268976.2012.683888 [online publication 12/04/2012] Journal Link Open Access Link

On the mechanism of atmospheric CO2 fixation into the dinuclear cryptate cavity

Morad M. El-Hendawy, Niall J. English, Damian A. Mooney (2012) Inorganic Chemistry, 51 (9): 5282–5288

DOI: 10.1021/ic300224w [online publication: 11/04/2012] Journal Link Open Access Link

Evaluation of microwave plasma oxidation treatments for the fabrication of photoactive un-doped and carbon-doped TiO2 coatings

Binh H. Q. Dang, Mahfujur Rahman, Don MacElroy, and Denis P. Dowling (2012) Journal of Surface & Coatings Technology, 206 (19–20): 4113–4118

DOI: 10.1016/j.surfcoat.2012.04.003 [online publication 09/04/2012] Journal Link Open Access Link

An Insight into the 3D Architecture and Quasicrystal Symmetry of Multilayer Nanorod Assemblies from Moiré Interference Patterns

Ajay Singh, Calum Dickinson, and Kevin M. Ryan (2012) ACS Nano, 6 (4): 3339–3345

DOI: 10.1021/nn300331x [published online 12/03/3012] Journal Link

The role of the bridging ligand in photocatalytic supramolecular assemblies for the reduction of protons and carbon dioxide

Martin Schulz, Michael Karnahl, Matthias Schwalbe, Johannes G. Vos (2012) Coordination Chemistry Reviews, 256 (15-16):1682-1705

DOI:10.1016/j.ccr.2012.02.016 [published online 28/02/2012] Journal Link

Effect of Water during the Quantitation of Formate in Photocatalytic Studies on CO2 Reduction in Dimethylformamide

Avishek Paul, Damian Connolly, Martin Schulz, Mary T. Pryce, and Johannes G. Vos (2012) Inorganic Chemistry, 51 (4): 1977-1979

DOI:10.1021/ic200633a [published online 01/02/2012] Journal Link

Colloidal Synthesis of Wurtzite Cu2ZnSnS4 Nanorods and Their Perpendicular Assembly

Ajay Singh, Hugh Geaney, Fathima Laffir, and Kevin M. Ryan (2012) Journal of the American Chemical Society, 134, 2910−2913.

DOI: 10.1021/ja2112146 [published online 30/01/2012] Journal Link

Dynamical cage behaviour and hydrogen migration in hydrogen and hydrogen-tetrahydrofuran clathrate hydrates

Paul D. Gorman, Niall J. English, and J. M. D. MacElroy (2012) Journal of Chemical Physics 136, 044506 

DOI: 10.1063/1.3677188 [published online 24/01/2012] Journal Link Open Access Link

Mechanisms for Thermal Conduction in Hydrogen Hydrate

Niall J. English, Paul D. Gorman and J.M.D. MacElroy.(2012) Journal of Chemical Physics 136, 044501
DOI: 10.1063/1.3677189 [published online 23/01/2012] Journal Link Open Access Link

2011

Controlled semiconductor nanorod assembly from solution: influence of concentration, charge and solvent nature

Ajay Singh, Robert D. Gunning, Shafaat Ahmed, Christopher A. Barrett, Niall J. English, José-Antonio Garate and Kevin M. Ryan (2012) J Materials Chemistry, 22, 1562-1569

DOI: 10.1039/C1JM14382D [published online 29/11/2011] Journal Link

Influence of the physical, structural and chemical properties on the photoresponse property of magnetron sputtered TiO2 photoanodes in the photoelectrochemical cell for the application of water splitting

M. Rahman, J. M. D. MacElroy and D. P. Dowling. 2011 J. Nanoscience and Nanotechnology, 11, 8642-8651

DOI:10.1166/jnn.2011.3458 [Accepted 2010, published Oct 2011]

Deposition of a hybrid organic-inorganic composite coatings using an atmospheric plasma jet system

A. Dembele, M. Rahman, I. Reid, B.Twomey, J.M.D. MacElroy, D.P. Dowling. 2011 J. Nanoscience and Nanotechnology, 11, 8730-8737

DOI: DOI:10.1166/jnn.2011.3459 [Accepted 2010, published Oct 2011]

Study of translational, librational and intra-molecular motion of adsorbed liquid water monolayers at various TiO2 interfaces

Ritwik S. Kavathekar, Niall J. English and J.M.D. MacElroy (2011). Molecular Physics, 109 (22), 2645-2654

DOI: 10.1080/00268976.2011.627884 [online publication 19/10/2011] Journal Link Open Access Link

A Facile Spin-Cast Route for Cation Exchange of Multilayer Perpendicularly-Aligned Nanorod Assemblies

Dervla Kelly, Ajay Singh, Christopher A. Barrett, Catriona O'Sullivan, Claudia Coughlan, Fathima R. Laffir, Colm O'Dwyer and Kevin M. Ryan. (2011) Nanoscale, 3, 4580-4583

DOI:10.1039/C1NR11031D [online publication 07/10/2011] Journal Link Open Access Link

High Density Germanium Nanowire Growth Directly from Copper Foil by Self-Induced Solid Seeding

Hugh Geaney, Calum Dickinson, Christopher A. Barrett, and Kevin M. Ryan (2011) Chemistry of Materials,23(21), 4838–4843

DOI:10.1021/cm202276m [online publication Date 06/10/2011]Journal Link

A TD-DFT study of the effects of structural variation on the photo-chemistry of polyene dyes

Saurabh Agrawal, Pratibha Dev, Niall J. English, K. Ravindranathan Thampi, and J. M. D. MacElroy (2011) Chemical Science, 3 (2), 416-424

DOI:10.1039/C1SC00676B [online publication 06/10/2011] Journal Link Open Access Link

Dynamical and Energetic Properties of Hydrogen and Hydrogen Tetrahydrofuran Clathrate Hydrates

Paul D. Gorman, Niall J. English and J.M.D. MacElroy. 2011 PCCP 13, 19780-19787

DOI:10.1039/C1CP21882D [online publication 03/10/2011] Journal Link Open Access Link

Electrophoretic deposition of poly(3-decylthiophene) onto gold-mounted cadmium selenide nanorods

José-Antonio Garate, Niall J. English, Ajay Singh, Kevin M. Ryan, Damian A. Mooney and J.M.D. MacElroy (2011) Langmuir, 27 (22), 13506-13513

DOI: 10.1021/la203227k [online publication 21/09/2011] Journal Link Open Access Link

Atomistic Simulation of the Formation of Nanoporous Silica Films via Molecular Chemical Vapor Deposition on Nonporous Substrates

Taslima Akter, Thomas C. McDermott, J. M. DonMacElroy, Damian A. Mooney, and Denis P. Dowling. 2011 Langmuir27 (21), 13052–13063

DOI:10.1021/la2031329 [online publication 21/09/2011] Journal Link

Complete Synthesis of Germanium Nanocrystal Encrusted Carbon Colloids in Supercritical CO(2) and their Superhydrophobic Properties

Barrett, Christopher A., Singh, Ajay, Murphy, Joseph A, O'Sullivan, Catriona, Buckley, D. N., Ryan, Kevin M. (2011) Langmuir, 27 (17), 11166-11173

DOI: 10.1021/la2020868 [online publication 06/09/2011] Journal Link

New methods and architectures for CO2 reduction through artificial photosynthesis

K. Ravindranathan Thampi, Grace Morgan, James Sullivan, Nadia Coburn, Danilo Dini, Han Vos and J.M. Don MacElroyPrep. Pap.-Am. Chem. Soc., Div. Fuel Chem. 2011, 56 (1), 185

Proceedings of the 241st ACS National Meeting, Solar Energy Conversion and Utilization for Fuels and Energy Production, Anaheim, California27th – 31st March 2011

The design of efficient surface-plasmon-enhanced ultra thin polymer based solar cells

Adam Williamson, Éadaoin McClean, David Leipold, Dominic Zerulla, Erich Runge. (2011) Applied Physics Letters, 99 (9) 093307

DOI: 10.1063/1.3633349 [online publication 02/09/2011] Journal link

New Insights into the Band-Gap Narrowing of (N, P)-Codoped TiO2from Hybrid Density Functional Theory Calculations

Run Long and Niall J English (2011) ChemPhysChem 12 (14) 2604-2608

DOI: 10.1002/cphc.201100313 [online publication 04/08/2011] Journal Link

Electronic properties of anatase-TiO2 codoped by cation-pairs from hybrid density functional theory calculations

Run Long and Niall J English (2011) Chemical Physics Letters, 513 (4-6):218-223.

DOI: 10.1016/j.cplett.2011.07.056 [online publication 23/07/2011] Journal Link

Complete Synthesis of Germanium Nanocrystal Encrusted Carbon Colloids in Supercritical CO2 and their Superhydrophobic Properties

Christopher A.Barrett, Ajay Singh, Joseph A. Murphy, Catriona O’Sullivan, D. N. Buckley, and Kevin M. Ryan. (2011) Langmuir 27(17), 11166–11173.

DOI: 10.1021/la2020868 [online publication 19/07/2011] Journal Link

Reinvestigating 2,5-di(pyridin-2-yl)pyrazine ruthenium complexes: selective deuteration and Raman spectroscopy as tools to probe ground and excited-state electronic structure in homo- and heterobimetallic complexes

M. Schulz, J. Hirschmann, A. Draksharapu, G. Singh Bindra, S. Soman, A. Paul, R. Groarke, M. T. Pryce, S. Rau, W. R. Browne and J. G. Vos. (2011) Dalton Transactions, 40, 10545-10552

DOI: 10.1039/c1dt10960 [online publication 18/07/2011] RSC Journal Link

First-principles study of excited-state properties of coumarin-derived dyes in dye-sensitized solar cells

Saurabh Agrawal, Pratibha Dev, Niall J. English, K. Ravindranathan Thampi and J. M. D. MacElroy. (2011) Journal of Materials Chemistry, 21(30), 11101-11108

DOI: 10.1039/C1JM10953G [online publication 23/06/2011] RSC Journal Link Open Access Link

Molecular dynamics study of water in contact with TiO2 rutile-110, 100, 101, 001 and anatase-101, 001 surface

Ritwik S. Kavathekar, Pratibha Dev, Niall J. English and J.M.D. MacElroy. (2011) Molecular Physics 109, 13, 1649-1656

DOI: 10.1080/00268976.2011.582051 [online publication 17/06/2011] Journal Link Open Access Link

Band Gap Engineering of double-cation-impurity-doped anatase-titania for visible-light photocatalysts: a hybrid density functional theory approach

Run Long and Niall J English (2011) Physical Chemistry Chemical Physics, 13 (30):13698-13703

DOI: 10.1039/c1cp21454c [Online publication 08/06/2011] Journal Link

Tunable single-site ruthenium catalysts for efficient water oxidation

Lucile Bernet, Ralte Lalrempuia, Wadih Ghattas, Helge Mueller-Bunz, Laura Vigara, Antoni Llobet and Martin Albrecht. (2011) Chemical Communications, 47, 8058-8060

DOI:10.1039/C1CC12615F [online publication 16/06/2011] RSC Journal Link Open Access Link

Hybrid density functional theory description of N- and C-doping of NiO

Michael Nolan, Run Long Niall J. English and Damian A. Mooney. (2011) J Chemical Physics 134 (22), 224703

DOI: 10.1063/1.3596949 [online publication 10/06/2011] Journal Link

Application of Circular Dichroism Spectroscopy in the Study of Mixed-Valence Asymmetric Ruthenium Polypyridyl Complexes

Hamid M. Y. Ahmed, Nadia Coburn, Danilo Dini, Jaap J. D. de Jong, Claudio Villani, Wesley R. Browne, and Johannes G. Vos (2011) Inorganic Chemistry, 50 (13): 5861-5863

DOI: 10.1021/ic200633a [online publication 31/05/2011] Journal Link

Role of Defects and Growth Directions in the Formation of Periodically Twinned and Kinked Unseeded Germanium Nanowires

Hugh Geaney, Calum Dickinson, Weihao Weng, Christopher J. Kiely, Christopher A. Barrett, Robert D. Gunning, and Kevin M. Ryan. (2011) Crystal Growth and Design, 11, 3266–3272.

DOI: 10.1021/cg200510y [online publication 27/05/2011] Journal Link

Thermal conduction and phonon propagation in pressure-amorphized ices

Niall J. English and John S. Tse (2011) Phys. Rev. B 83, 184114

DOI: 10.1103/PhysRevB.83.18411 [online publication 24/05/2011] Journal Link

Tailoring the electronic structure of TiO2 by cation codoping from hybrid density functional theory calculations

Run Long and Niall J. English (2011) Physical Review B 83, 155209

DOI: 10.1103/PhysRevB.83.155209 [online publication 20/04/2011] Journal Link

Silver tip formation on colloidal CdSe nanorods by a facile phase transfer protocol

Tanushree Bala, Ambarish Sanyal, Ajay Singh, Dervla Kelly, Catriona O’Sullivan, Fathima Laffir and Kevin M. Ryan. (2011) Journal of Materials Chemistry, 21, 6815–6820

DOI: 10.1039/C0JM04324A [online publication 08/04/2011] Journal Link

Electronic structure of cation-codoped TiO2 for visible-light photocatalyst applications from hybrid density functional theory calculations

Run Long and Niall J. English (2011) Applied Physics Letters, 98, 142103.

DOI:10.1063/1.3574773 [online publication 04/04/2011] Journal Link

Conversion of amorphous TiO2 coatings into their crystalline form using a novel microwave plasma treatment

Binh H. Q. Dang, M. Rahman, Don MacElroy, Denis P. Dowling. (2011) Journal of Surface and Coatings Technology

DOI: 10.1016/j.surfcoat.2011.03.075 [online publication 26/03/2011] Open Access Link

Activation of Hematite Nanorod Arrays for Photoelectrochemical Water Splitting

R. Morrish, M. Rahman, J. M. D. MacElroy, C. Wolden. (2011) ChemSusChem, 4(4), 474-479.

DOI: 10.1002/cssc.201100066[online publication 16/03/2011] Open Access Link

Dynamical Properties of Hydrogen Sulphide Motion in its Clathrate Hydrate from Ab Initio and Classical Isobaric-Isothermal Molecular Dynamic

Niall J. English and John S. Tse. (2011) J Physical Chemistry A, 115, 6226–6232

DOI: 10.1021/jp111485 [online publication 10/03/2011] Journal Link

A Theoretical Investigation of Atmospheric Carbon Dioxide Uptake in Dinuclear Octa-Azcryptates Complexes

Morad M. El-Hendawy, Niall J. English and Damian A. Mooney. (2011) Journal of Molecular Modelling, 17 (12), 3151-3162

DOI: 10.1007/s00894-011-0965-z [online publication 01/03/2011] Journal Link Open Access Link

Perpendicular growth of catalyst-free germanium nanowire arrays

Christopher A. Barrett, Hugh Geaney, Robert D. Gunning, Fathima R. Laffir and Kevin M. Ryan (2011) Chemical Communication, 47, 3843-3845

DOI: 10.1039/c0cc05202g [online publication 14/02/2011] RSC Journal Link

Density Fluctuations in Liquid Water

Niall J English and John S Tse (2011) Phys. Rev. Lett. 106, 037801

DOI: 10.1103/PhysRevLett.106.037801 [online publication 18/01/2011] Journal Link

Application of a novel microwave plasma treatment for the sintering of Nickel oxide coatings for use in dye-sensitized solar cells

Muhammad Awais, M. Rahman, J.M. Don MacElroy, Danilo Dini, Johannes G. Vos, Denis P. Dowling. (2011) Journal of Surface and Coatings Technology, 205 (Supp 2), S245–S249

DOI: 10.1016/j.surfcoat.2011.01.020 [online publication 15/01/2011] Open Access Link

Protein immobilisation on perpendicularly aligned gold tipped nanorod assemblies

Catriona O'Sullivan, Suzanne Crilly, Fathima R. Laffir, Ajay Singh, Edmond Magner and Kevin M. Ryan(2011) Chemical Communications, 47, 2655-2657

DOI: 10.1039/C0CC05182A [online publication: 11/01/2011] RSC Journal Link Open Access Link

2010

Electronic properties of F/Zr co-doped anatase TiO2 photocatalysts from GGA + U calculations

Run Long, Niall J. English (2010) Chem. Phys. Lett., 498(4-6), 338-344

DOI: 10.1016/j.cplett.2010.09.006 [online publication 02/09/2010] Open Access Link

Directing semiconductor nanorod assembly into 1D or 2D supercrystals by altering the surface charge

Ajay Singh, Robert D. Gunning, Ambarish Sanyal and Kevin M. Ryan(2010) Chem. Commun., 46, 7193-7195 DOI:10.1039/C0CC01455A [online publication 18/08/2010] Open Access Link

A Multi-rate Kinetic Model for Spontaneous Oriented Attachment of CdS Nanorods

Robert D. Gunning, Catriona O’Sullivan and Kevin M. Ryan (2010), Phys. Chem. Chem. Phys., 12(39), 12430-12435

DOI: 10.1039/C0CP00196A [online publication 16/08/2010] RSC Journal Link

Characterising dye-sensitized solar cells

L. L. Tobin, T. O’Reilly, D. Zerulla, J. T. Sheridan (2010) Optik-Int.J.LightElectronOpt.

DOI:10.1016/j.ijleo.2010.07.028 [online publication 25/10/2010] Open Access Link

Size controlled gold tip growth onto II–VI nanorods

Catriona O’Sullivan, Robert D. Gunning, Christopher A. Barrett, Ajay Singh and Kevin M. Ryan (2010) J. Mater. Chem., 20, 7875–7880

DOI: 10.1039/c0jm01689f [online publication 06/08/2010] Open Access Link

First-principles calculation of electronic structure of V-doped anatase TiO2

Run Long and Niall J. English (2010) Chem. Phys. Chem., 11(12) 2606-2611

DOI: 10.1002/cphc.201000329 [online publication 03/08/2010] Open Access Link

Density Functional Theory Studies of Doping in Titania

R. Long and N.J. English (2010) Molec. Simulation, 36: 7, 618 - 632

DOI: 10.1080/08927021003671582 [online publication 03/08/2010] Open Access Link

Electronic Structure and Origin of Visible-Light Activity of C-Doped Cubic In2O3from First-Principles Calculations

Run Long and Niall J. English (2010) J. Phys. Chem. C, 114(32), 13942–13946

DOI: 10.1021/jp104690 [online publication 26/07/2010] Open Access Link

Synthesis and Properties of Dinuclear Ru(II)/Os(II) Complexes Based on a Heteroditopic Phenanthroline−Terpyridine Bridging Ligand

Eugenio Coronado, Pablo Gavi, Sergio Tatay, Robert Groarke and Johannes G. Vos (2010) Inorg. Chem., 49(15), 6897–6903

DOI:10.1021/ic1004177 [online publication 03/07/2010]

Catalytic hydrogen production at cobalt centres

Sebastian Losse, Johannes G. Vos, Sven Rau. (2010) Coord. Chem. Rev., 254, 2492–2504

DOI: 10.1016/j.ccr.2010.06.004 [online publication 23/06/2010] Science Direct Link

Photoinduced ligand isomerisation in a pyrazine-containing ruthenium polypyridyl complex

Sabine Horn, Hamid M. Y. Ahmed, Helen P Hughes, Suraj Soman, Wesley R. Browne and Johannes G. Vos (2010) Photochem. Photobiol. Sci., 2010, 9, 985–990

DOI: 10.1039/c0pp00054j Open Access Link

A spatially resolved study on the Sn diffusion during the sintering process in the active layer of dye sensitised solar cells

Codrin Andrei, Thomas O’Reilly and Dominic Zerulla (2010) Phys. Chem. Chem. Phys., 12, 7241 - 7245

DOI: 10.1039/c000072h [online publication 21/05/2010] Open Access Link

Investigating Dye-Sensitised Solar Cells

Laura L. Tobin, Thomas O’Reilly, Dominic Zerulla, John T. Sheridan (2010). Proceedings of SPIE Photonics Europe: Photonics for Solar Energy Systems III, 12th- 16th April, Brussels, 2010. Proceedings Vol. 7725 77251A-1.

DOI: 10.1117/12.854591 Open Access Link

Photoinduced rearrangements in transition metal compounds

Pryce, M. and Vos (2010) J. Coord Chem Rev., 254 (21-22), 2519-2532.

DOI:10.1016/j.ccr.2010.04.010 [online publication 18/04/2010] Open Access Link

Synergistic effects on band gap-narrowing in titania by codoping from first-principles calculations

R. Long and N.J. English, (2010) Chem. Materials, 22(5), 1616-1623

DOI:10.1021/cm903688z [published 09/03/2010 Open Access Link

Electronic structures of N- and C-doped NiO from first-principles calculations

Run Long, Niall J. English, Damian A. Mooney. (2010) Physics Letters A, 374, 1184–1187

DOI:10.1016/j.physleta.2009.12.058 [online publication: 28/12/2009] Open Access Link

Deposition and characterization of NiOx coatings by magnetron sputtering for application in dye-sensitized solar cells Muhammad Awais, Mahfujur Rahman, J.M. Don MacElroy, Nadia Coburn, Danilo Dini, Johannes G. Vos and Denis P. Dowling

(2010), Surface and Coatings Technology, 204 (16-17), 2729-2736

DOI:10.1016/j.surfcoat.2010.02.027 [accepted proof online publication 13/02/2010] Open Access Link

Excited State Localization and Internuclear Interactions in Asymmetric Ruthenium(II) and Osmium(II) bpy/tpy Based Dinuclear Compounds

Yvonne Halpin, Danilo Dini, Hamid M. Younis Ahmed, Lynda Cassidy, Wesley R. Browne, and Johannes G. Vos. (2010) Inorg. Chem., 49, 2799–2807.

DOI: 10.1021/ic902140t [online publication: 08/02/2010] Open Access Link

2009

Tailored adsorption of His6-tagged protein onto nickel(II)–cyclam grafted mesoporous silica

Darragh A. Gaffney, Sarah O’Neill, Mary C. O’Loughlin, Ulf Hanefeld, Jakki C. Cooney and Edmond Magner. (2009) Chem. Commun., 46, 1124–1126.

DOI: 10.1039/b915169a [online publication: 23/12/2009] Open Access Link

Metal surface nucleated supercritical fluid-solid-solid growth of Si and Ge/SiOx core-shell nanowires

Barrett, C.A., Gunning, R.D., Hantschel, T., Arstila, K., O'Sullivan, C., Geaney, H., Ryan, K.M., (2010) J. Mat. Chem., 20 (1), 135-144.

DOI: 10.1039/b914950c [online publication: 03/11/2009] Open Access Link

Density functional theory description of the mechanism of ferromagnetism in nitrogen-doped SnO2

R. Long and N.J. English,(2009) Physics Letters A, 374, 319-322

DOI: 10.1016/j.physleta.2009.10.036 [online publication: 20/10/2009] Open Access Link

Characterising Dye-Sensitized Solar Cells

Laura L. Tobin, Thomas O’Reilly, Dominic Zerulla, John T. Sheridan (2009). Proceedings of SPIE: SPIE Optics + Photonics: Solar Energy and Technology, San Diego, California, USA, 2nd – 6th August 2009 Vol. 7416 74161L-1

DOI: 10.1117/12.826221 Open Access Link

Gelled Polymerizable Microemulsions. Part 3 Rheology

M. Magno, R. Tessendorf, B. Medronho, M. da Graça Martins Miguel, C. Stubenrauch, (2009) Soft Matter, 5, 4763-4772 .

DOI: 10.1039/b914281a [online publication: 24/09/2009] Open Access Link

Magnetic properties of first-row element-doped ZnS semiconductors: a density functional theory investigation

R. Long and N.J. English (2009); Physical Review B, 80(11), 115212

DOI: 10.1103/PhysRevB.80.115212 [online publication 22/09/2009] Journal Link

Block copolymer mediated stabilization of sub-5 nm superparamagnetic nickel nanoparticles in an aqueous medium

Bala, T., Gunning, R. D., Venkatesan, M., Godshell, J., Roy, S., Ryan, K. M., (2009) Nanotechnology, 20, 415603

DOI: 10.1088/0957-4484/20/41/415603 [online publication: 18/09/2009] Open Access Link

First-Principles Study of S Doping at the Rutile TiO2 (110) Surface

R. Long, N.J. English and Y. Dai (2009); J. Phys. Chem. 113, 17464–17470

DOI: 10.1021/jp904775g [online publication 15/09/2009] Open Access Link

Centimeter scale assembly of vertically aligned and close packed semiconductor nanorods from solution

Ahmed, S. Ryan, K. M., (2009) Chemical Communications, 42, 6421-6423

DOI: 10.1039/b914478a [online publication: 08/09/2009] Open Access Link

The influence of light intensity, active area, and excitation wavelength on the temporal response of a dye sensitized solar cell

Thomas O’Reilly, Codrin Andrei, Jennifer O’Reilly and Dominic Zerulla (2009). SPIE Proceedings: Optical Modeling and Measurements for Solar Energy Systems III. SPIE Optics + Photonics: Solar Energy and Technology, San Diego, California, USA, 2nd – 6th August 2009. Proceedings Volume 7410, 74100L-9.

DOI: 10.1117/12.829394 Open Access Link

Band gap engineering of (N, Ta)-codoped TiO2: A first-principles calculation

R. Long and N.J. English (2009); Chem. Phys. Lett., 478, 175–179

DOI: 10.1016/j.cplett.2009.07.084 [online publication 29/07/2009] Open Access Link

Phase diagrams of non-ionic microemulsions containing reducing agents and metal salts as bases for the synthesis of bimetallic nanoparticles

M. Magno, D.G. Angelescu, C. Stubenrauch, (2009) COLSUA, 348, 116-123.

DOI: 10.1016/j.colsurfa.2009.07.002 [online publication: 10/07/2009] Open Access Link

Estimation of zeta potentials of titania nanoparticles by molecular simulation

Niall J. English, William F. Long (2009); Physica A 388, 4091-4096

DOI: 10.1016/j.physa.2009.06.026 [online publication 23/06/2009] Open Access Link

Spontaneous Room Temperature Elongation of CdS and Ag2S Nanorods via Oriented Attachment

Catriona O’Sullivan, Robert D. Gunning, Ambarish Sanyal, Christopher A. Barrett, Hugh Geaney, Fathima R. Laffir, Shafaat Ahmed, and Kevin M. Ryan (2009); J. AM. Chem. Soc; 131, 12250–12257

DOI: 10.1021/ja902860t [online publication 08/06/2009] Open Access Link

Energetic and Electronic Properties of P Doping at the Rutile TiO2 (110) Surface from First Principles

Run Long and Niall J. English (2009); J. Phys. Chem. C, 113, 9423–9430

DOI: 10.1021/jp9016135 [online publication 04/05/2009] Open Access Link

Synergistic Effects of Bi/S Codoping on Visible Light-Activated Anatase TiO2 Photocatalysts from First Principles

Long, R. and English, N.J. (2009) J. Phys. Chem. C., 113(19), 8373-8377

DOI: 10.1021/jp900589k [online publication 20/04/2009] Open Access Link

Spectroelectrochemical properties of homo- and heteroleptic ruthenium and osmium binuclear complexes: intercomponent communication as a function of energy differences between HOMO levels of bridge and metal centres

Yvonne Halpin, Laura Cleary, Lynda Cassidy, Sabine Horne, Danilo Dini, Wesley R. Browne and Johannes G. Vos (2009); Dalton Trans., 21, 4146–4153

DOI: 10.1039/b823104d [online publication 02/04/2009] Open Access Link

First-principles calculation of nitrogen-tungsten codoping effects on the band structure of anatase-titania

Run Long and Niall J. English (2009); Appl. Phys. Lett. 94, 132102

DOI:10.1063/1.3114608 [online publication 02/04/2009] Open Access Link

Polarization selective near-field focusing on mesoscopic surface patterns with threefold symmetry measured with PEEM

Michael Berndt, Martin Rohmer, Brian Ashall, Christian Schneider, Martin Aeschlimann, and Dominic Zerulla (2009); Optics Letters, Vol. 34, Issue 7, 959-961

DOI:10.1364/OL.34.000959 [online publication 23/02/2009]

2008

Phase Diagrams of Microemulsions containing Reducing Agents and Metal Salts as Bases for the Synthesis of Metallic Nanoparticles

R. Najjar, C. Stubenrauch, (2008) J. Colloid Interface Sci., 331, 214-220

DOI: 10.1016/j.jcis.2008.11.035 [online publication 21/11/2008] Open Access Link