Nelson Y. Dzade, PhD
Nelson Y. Dzade, PhD
Cardiff & Utrecht Universities
Verified email at cardiff.ac.uk - Homepage
Title
Cited by
Cited by
Year
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
832014
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
602014
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
592010
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), 124708, 2013
392013
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
362016
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), 094703, 2015
312015
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
252014
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
202017
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
172016
DFT-D2 study of the adsorption and dissociation of water on clean and oxygen-covered {001} and {011} surfaces of mackinawite (FeS)
NY Dzade, A Roldan, NH de Leeuw
The Journal of Physical Chemistry C 120 (38), 21441-21450, 2016
152016
A DFT+ U investigation of hydrogen adsorption on the LaFeO 3 (010) surface
IW Boateng, R Tia, E Adei, NY Dzade, CRA Catlow, NH De Leeuw
Physical Chemistry Chemical Physics 19 (10), 7399-7409, 2017
142017
DFT-D2 simulations of water adsorption and dissociation on the low-index surfaces of mackinawite (FeS)
NY Dzade, A Roldan, NH de Leeuw
The Journal of Chemical Physics 144 (17), 174704, 2016
142016
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
132019
Oxidation behaviour of U 3 Si 2: an experimental and first principles investigation
E Jossou, U Eduok, NY Dzade, B Szpunar, JA Szpunar
Physical Chemistry Chemical Physics 20 (7), 4708-4720, 2018
112018
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
102019
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
92019
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
92018
Periodic DFT+ U investigation of the bulk and surface properties of marcasite (FeS 2)
NY Dzade, NH de Leeuw
Physical Chemistry Chemical Physics 19 (40), 27478-27488, 2017
92017
A density functional theory study of arsenic immobilization by the Al (III)-modified zeolite clinoptilolite
JB Awuah, NY Dzade, R Tia, E Adei, B Kwakye-Awuah, CRA Catlow, ...
Physical Chemistry Chemical Physics 18 (16), 11297-11305, 2016
72016
Density functional theory characterization of the structures of H 3 AsO 3 and H 3 AsO 4 adsorption complexes on ferrihydrite
NY Dzade, NH de Leeuw
Environmental Science: Processes & Impacts 20 (6), 977-987, 2018
62018
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Articles 1–20