First-Principles Insights into the Interface Chemistry between 4-Aminothiophenol and Zinc Phosphide (Zn(3)P(2)) Nanoparticles

por Dzade, Nelson Y.
Publicado 2020

First-principles insights into the electronic structure, optical and band alignment properties of earth-abundant Cu(2)SrSnS(4) solar absorber

por Dzade, Nelson Y.
Publicado 2021

Adsorption and Desulfurization Mechanism of Thiophene on Layered FeS(001), (011), and (111) Surfaces: A Dispersion-Corrected Density Functional Theory Study

por Dzade, Nelson Y., de Leeuw, Nora H.
Publicado 2017

First–Principles Investigation of the Structural, Elastic, Electronic, and Optical Properties of α– and β–SrZrS(3): Implications for Photovoltaic Applications

por Eya, Henry Igwebuike, Ntsoenzok, Esidor, Dzade, Nelson Y.
Publicado 2020

Structures and Properties of As(OH)(3) Adsorption Complexes on Hydrated Mackinawite (FeS) Surfaces: A DFT-D2 Study

por Dzade, Nelson Y., Roldan, Alberto, de Leeuw, Nora H.
Publicado 2017

Interface Structure and Band Alignment of CZTS/CdS Heterojunction: An Experimental and First-Principles DFT Investigation

por Rondiya, Sachin, Jadhav, Yogesh, Nasane, Mamta, Jadkar, Sandesh, Dzade, Nelson Y.
Publicado 2019

Influence of Inorganic Solution Components on Lithium Carbonate Crystal Growth

por King, Helen E., Salisbury, Alistair, Huijsmans, Jasper, Dzade, Nelson Y., Plümper, Oliver
Publicado 2019

Enhanced Field Emission Properties of Au/SnSe Nano-heterostructure: A Combined Experimental and Theoretical Investigation

por Rondiya, Sachin R., Jadhav, Chandradip D., Chavan, Padmakar G., Dzade, Nelson Y.
Publicado 2020

Experimental and Theoretical Investigation of the Structural and Opto‐electronic Properties of Fe‐Doped Lead‐Free Cs(2)AgBiCl(6) Double Perovskite

por Thawarkar, Sachin, Rondiya, Sachin R., Dzade, Nelson Y., Khupse, Nageshwar, Jadkar, Sandesh
Publicado 2021

DFT + U Study of the Adsorption and Dissociation of Water on Clean, Defective, and Oxygen-Covered U(3)Si(2){001}, {110}, and {111} Surfaces

por Jossou, Ericmoore, Malakkal, Linu, Dzade, Nelson Y., Claisse, Antoine, Szpunar, Barbara, Szpunar, Jerzy
Publicado 2019

Implementing Dopant-Free Hole-Transporting Layers and Metal-Incorporated CsPbI(2)Br for Stable All-Inorganic Perovskite Solar Cells

por Mali, Sawanta S., Patil, Jyoti V., Steele, Julian A., Rondiya, Sachin R., Dzade, Nelson Y., Hong, Chang Kook
Publicado 2021

Interaction of Aromatic Molecules with Forsterite: Accuracy of the Periodic DFT-D4 Method

por Campisi, Dario, Lamberts, Thanja, Dzade, Nelson Y., Martinazzo, Rocco, ten Kate, Inge Loes, Tielens, Alexander G. G. M.
Publicado 2021

Adsorption of Polycyclic Aromatic Hydrocarbons and C(60) onto Forsterite: C–H Bond Activation by the Schottky Vacancy

por Campisi, Dario, Lamberts, Thanja, Dzade, Nelson Y., Martinazzo, Rocco, ten Kate, Inge Loes, Tielens, Alexander G. G. M.
Publicado 2022

ZnO/CuSCN Nano-Heterostructure as a Highly Efficient Field Emitter: a Combined Experimental and Theoretical Investigation

por Baviskar, Prashant K., Rondiya, Sachin R., Patil, Girish P., Sankapal, Babasaheb R., Pathan, Habib M., Chavan, Padmakar G., Dzade, Nelson Y.
Publicado 2020

Experimental and Theoretical Study into Interface Structure and Band Alignment of the Cu(2)Zn(1–x)Cd(x)SnS(4) Heterointerface for Photovoltaic Applications

por Rondiya, Sachin R., Jadhav, Yogesh, Dzade, Nelson Y., Ahammed, Raihan, Goswami, Tanmay, De Sarkar, Abir, Jadkar, Sandesh, Haram, Santosh, Ghosh, Hirendra N.
Publicado 2020

The Transfer Hydrogenation of Cinnamaldehyde Using Homogeneous Cobalt(II) and Nickel(II) (E)-1-(Pyridin-2-yl)-N-(3-(triethoxysilyl)propyl)methanimine and the Complexes Anchored on...

por Sejie, Fortunate P., Oyetunji, Olayinka A., Darkwa, James, Beas, Isaac N., Makhubela, Banothile C. E., Dzade, Nelson Y., de Leeuw, Nora H.
Publicado 2023

Electronic Structure and Interface Energetics of CuBi(2)O(4) Photoelectrodes

por Oropeza, Freddy E., Dzade, Nelson Y., Pons-Martí, Amalia, Yang, Zhenni, Zhang, Kelvin H. L., de Leeuw, Nora H., Hensen, Emiel J. M., Hofmann, Jan P.
Publicado 2020

Electronic Structure and Surface Properties of Copper Thiocyanate: A Promising Hole Transport Material for Organic Photovoltaic Cells

por Odeke, Bonaventure A., Chung, Gyang D., Fajemisin, Jesutofunmi A., Suraj, Kabir S., Tonui, Denis K., Tobi, Ayinla R., Bewaale, Thomas C., Ajibola, Jamiu A., Dzade, Nelson Y.
Publicado 2020

High Stability and Long Cycle Life of Rechargeable Sodium-Ion Battery Using Manganese Oxide Cathode: A Combined Density Functional Theory (DFT) and Experimental Study

por Pandit, Bidhan, Rondiya, Sachin R., Dzade, Nelson Y., Shaikh, Shoyebmohamad F., Kumar, Nitish, Goda, Emad S., Al-Kahtani, Abdullah A., Mane, Rajaram S., Mathur, Sanjay, Salunkhe, Rahul R.
Publicado 2021

Uncovering the origin of enhanced field emission properties of rGO–MnO(2) heterostructures: a synergistic experimental and computational investigation

por Rondiya, Sachin R., Karbhal, Indrapal, Jadhav, Chandradip D., Nasane, Mamta P., Davies, Thomas E., Shelke, Manjusha V., Jadkar, Sandesh R., Chavan, Padmakar G., Dzade, Nelson Y.
Publicado 2020