| A Density Functional Theory Study of the Adsorption of Benzene on Hematite (α-Fe2O3) Surfaces NY Dzade, A Roldan, NH De Leeuw Minerals 4 (1), 89-115, 2014 | 142 | 2014 |
| The Origin of High Activity of Amorphous MoS2 in the Hydrogen Evolution Reaction L Wu, A Longo, NY Dzade, A Sharma, MMRM Hendrix, AA Bol, ... ChemSusChem 12 (19), 4383-4389, 2019 | 93 | 2019 |
| Adsorption of hydrazine on the perfect and defective copper (111) surface: a dispersion-corrected DFT study SS Tafreshi, A Roldan, NY Dzade, NH De Leeuw Surface science 622, 1-8, 2014 | 81 | 2014 |
| Silicene and transition metal based materials: prediction of a two-dimensional piezomagnet NY Dzade, KO Obodo, SK Adjokatse, AC Ashu, E Amankwah, CD Atiso, ... Journal of Physics: Condensed Matter 22 (37), 375502, 2010 | 74 | 2010 |
| High stability and long cycle life of rechargeable sodium-ion battery using manganese oxide cathode: a combined density functional theory (DFT) and experimental study B Pandit, SR Rondiya, NY Dzade, SF Shaikh, N Kumar, ES Goda, ... ACS applied materials & interfaces 13 (9), 11433-11441, 2021 | 69 | 2021 |
| Enhanced Photoresponse of FeS2 Films: The Role of Marcasite–Pyrite Phase Junctions L Wu, NY Dzade, L Gao, DO Scanlon, Z Öztürk, N Hollingsworth, ... Advanced Materials 28 (43), 9602-9607, 2016 | 69 | 2016 |
| Implementing Dopant-Free Hole-Transporting Layers and Metal-Incorporated CsPbI2Br for Stable All-Inorganic Perovskite Solar Cells SS Mali, JV Patil, JA Steele, SR Rondiya, NY Dzade, CK Hong ACS Energy letters 6 (2), 778-788, 2021 | 68 | 2021 |
| Structural and optical properties of ZnO thin films prepared by molecular precursor and sol–gel methods T Amakali, L Daniel, V Uahengo, NY Dzade, NH De Leeuw Crystals 10 (2), 132, 2020 | 64 | 2020 |
| Enhancing the electrocatalytic activity of 2H-WS 2 for hydrogen evolution via defect engineering L Wu, AJF Van Hoof, NY Dzade, L Gao, MI Richard, H Friedrich, ... Physical Chemistry Chemical Physics 21 (11), 6071-6079, 2019 | 61 | 2019 |
| Adsorption of methylamine on mackinawite (FeS) surfaces: A density functional theory study NY Dzade, A Roldan, NH De Leeuw The Journal of Chemical Physics 139 (12), 2013 | 56 | 2013 |
| Structures and Properties of As(OH)3 Adsorption Complexes on Hydrated Mackinawite (FeS) Surfaces: A DFT-D2 Study NY Dzade, A Roldan, NH De Leeuw Environmental Science & Technology 51 (6), 3461-3470, 2017 | 55 | 2017 |
| Activation and dissociation of CO2 on the (001),(011), and (111) surfaces of mackinawite (FeS): A dispersion-corrected DFT study NY Dzade, A Roldan, NH de Leeuw The Journal of chemical physics 143 (9), 2015 | 55 | 2015 |
| Facile green synthesis of magnesium oxide nanoparticles using tea (Camellia sinensis) extract for efficient photocatalytic degradation of methylene blue dye SA Kumar, M Jarvin, SSR Inbanathan, A Umar, NP Lalla, NY Dzade, ... Environmental Technology & Innovation 28, 102746, 2022 | 51 | 2022 |
| Vanadium telluride nanoparticles on MWCNTs prepared by successive ionic layer adsorption and reaction for solid-state supercapacitor B Pandit, SR Rondiya, RW Cross, NY Dzade, BR Sankapal Chemical Engineering Journal 429, 132505, 2022 | 51 | 2022 |
| DFT and experimental investigations on the photocatalytic activities of NiO nanobelts for removal of organic pollutants N Kitchamsetti, MS Ramteke, SR Rondiya, SR Mulani, MS Patil, ... Journal of Alloys and Compounds 855, 157337, 2021 | 49 | 2021 |
| Unraveling the Role of Lithium in Enhancing the Hydrogen Evolution Activity of MoS2: Intercalation versus Adsorption L Wu, NY Dzade, M Yu, B Mezari, AJF Van Hoof, H Friedrich, ... ACS energy letters 4 (7), 1733-1740, 2019 | 46 | 2019 |
| Photoelectrochemical investigation on the cadmium sulfide (CdS) thin films prepared using spin coating technique GK Rahane, SB Jathar, SR Rondiya, YA Jadhav, SV Barma, A Rokade, ... ES Materials & Manufacturing 11, 57-64, 2020 | 45 | 2020 |
| Reactivity of CO2 on the surfaces of magnetite (Fe3O4), greigite (Fe3S4) and mackinawite (FeS) D Santos-Carballal, A Roldan, NY Dzade, NH De Leeuw Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2018 | 44 | 2018 |
| The surface chemistry of NO x on mackinawite (FeS) surfaces: a DFT-D2 study NY Dzade, A Roldan, NH de Leeuw Physical Chemistry Chemical Physics 16 (29), 15444-15456, 2014 | 43 | 2014 |
| Surface and shape modification of mackinawite (FeS) nanocrystals by cysteine adsorption: a first-principles DFT-D2 study NY Dzade, A Roldan, NH de Leeuw Physical Chemistry Chemical Physics 18 (47), 32007-32020, 2016 | 40 | 2016 |
NH de LeeuwProfessor of Computational Chemistry, University of Leeds, UK; Utrecht University, The NetherlandsVerified email at leeds.ac.uk
