Nelson Y. Dzade, PhD
Nelson Y. Dzade, PhD
EPSRC Innovation Research Fellow, Cardiff University
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
942014
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
682014
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
652010
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
532016
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
452013
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
432015
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, 2019
362019
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
362014
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
312017
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
272016
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
252019
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
242018
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
242016
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
232016
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
222019
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
202017
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
192018
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
192017
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
152020
Adsorption and desulfurization mechanism of thiophene on layered fes (001),(011), and (111) surfaces: A dispersion-corrected density functional theory study
NY Dzade, NH De Leeuw
The Journal of Physical Chemistry C 122 (1), 359-370, 2018
122018
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Articles 1–20