Nelson Y. Dzade, PhD
Nelson Y. Dzade, PhD
Assistant Professor, Dept. of Energy and Mineral Engineering, Pennsylvania State University, USA
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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
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
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
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
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
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
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
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
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
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
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
Structural and optical properties of ZnO thin films prepared by molecular precursor and sol–gel methods
T Amakali, LS Daniel, V Uahengo, NY Dzade, NH De Leeuw
Crystals 10 (2), 132, 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
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
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
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
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, 2021
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
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
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
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