Transition metal-doped α-borophene as potential oxygen and hydrogen evolution electrocatalyst: A density functional theory study

Transition Metal ◽

Hydrogen Evolution ◽

Density Functional ◽

Functional Theory ◽

Metal Doped ◽

Potential Oxygen

Density functional theory study of carbon monoxide adsorption on transition metal doped armchair graphene nanoribbon

Materials Today Proceedings ◽

10.1016/j.matpr.2021.11.078 ◽

2021 ◽

Author(s):

R. Deji ◽

Akarsh Verma ◽

Navjot Kaur ◽

B.C. Choudhary ◽

Ramesh K. Sharma

Keyword(s):

Carbon Monoxide ◽

Transition Metal ◽

Density Functional ◽

Functional Theory ◽

Carbon Monoxide Adsorption ◽

Metal Doped ◽

Armchair Graphene Nanoribbon ◽

Armchair Graphene

Density functional theory study of hydrogen sulfide adsorption onto transition metal-doped bilayer graphene using external electric fields

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2020.114252 ◽

2020 ◽

Vol 124 ◽

pp. 114252 ◽

Cited By ~ 1

Author(s):

You Xie ◽

Song Cao ◽

Xiu Wu ◽

Bing-Yi Yu ◽

Li-Yong Chen ◽

...

Keyword(s):

Hydrogen Sulfide ◽

Transition Metal ◽

Electric Fields ◽

Density Functional ◽

Bilayer Graphene ◽

Functional Theory ◽

External Electric Fields ◽

Density functional theory study of pristine and transition metal doped fullerene

10.1063/1.4980340 ◽

2017 ◽

Cited By ~ 7

Author(s):

Debolina Paul ◽

Jyotirmoy Deb ◽

Barnali Bhattacharya ◽

Utpal Sarkar

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Theory ◽

Rational design of MoS2 catalysts: tuning the structure and activity via transition metal doping

Catalysis Science & Technology ◽

10.1039/c4cy01162g ◽

2015 ◽

Vol 5 (1) ◽

pp. 246-253 ◽

Cited By ~ 104

Author(s):

Charlie Tsai ◽

Karen Chan ◽

Jens K. Nørskov ◽

Frank Abild-Pedersen

Keyword(s):

Transition Metal ◽

Hydrogen Evolution ◽

Density Functional ◽

Rational Design ◽

Transition Metal Doping ◽

Functional Theory ◽

Mos2 Catalysts ◽

Metal Doped ◽

Structure And Activity

Density functional theory is used to elucidate and understand the trends in hydrogen evolution activity of transition-metal doped MoS2 catalysts.

Density functional theory study of transition metal doped chalcogenides

10.1349/ddlp.2185 ◽

2015 ◽

Author(s):

Stefano Poggio

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Theory ◽

Transition metal-doped tetra-MoN2 monolayers as an electrochemical catalyst for CO2 reduction: A density functional theory study

Catalysis Communications ◽

10.1016/j.catcom.2020.106212 ◽

2021 ◽

Vol 149 ◽

pp. 106212

Author(s):

Xuejing Yang ◽

Xuejian Xu ◽

Xiuli Hou ◽

Peng Zhang ◽

Jianli Mi ◽

...

Keyword(s):

Transition Metal ◽

Density Functional ◽

Co2 Reduction ◽

Functional Theory ◽

Electrochemical Catalyst ◽

Density functional theory study of the adsorption of acetone on the pure and transition metal doped (TiO2)38 clusters

Vacuum ◽

10.1016/j.vacuum.2015.05.003 ◽

2015 ◽

Vol 119 ◽

pp. 123-130 ◽

Cited By ~ 2

Author(s):

Qian Chen ◽

Wei Zhu ◽

Xiandeng Hou ◽

Kailai Xu

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Theory ◽

Doped Tio2 ◽

Borophene−supported single transition metal atoms as potential oxygen evolution/reduction electrocatalysts: a density functional theory study

Journal of Molecular Modeling ◽

10.1007/s00894-021-04693-5 ◽

2021 ◽

Vol 27 (3) ◽

Author(s):

Xuewen Xu ◽

Ruihao Si ◽

Yao Dong ◽

Lanlan Li ◽

Minghui Zhang ◽

...

Keyword(s):

Transition Metal ◽

Oxygen Evolution ◽

Density Functional ◽

Functional Theory ◽

Metal Atoms ◽

Transition Metal Atoms ◽

Single Transition ◽

Potential Oxygen

Insights on hydrogen evolution reaction in transition metal doped monolayer TcS2 from density functional theory calculations

Applied Surface Science ◽

10.1016/j.apsusc.2018.11.044 ◽

2019 ◽

Vol 470 ◽

pp. 107-113 ◽

Cited By ~ 11

Author(s):

Cecil Naphtaly Moro Ouma ◽

Kingsley Onyebuchi Obodo ◽

Moritz Braun ◽

George Odhiambo Amolo ◽

Dmitri Bessarabov

Keyword(s):

Transition Metal ◽

Hydrogen Evolution ◽

Hydrogen Evolution Reaction ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Density functional theory studies of transition metal doped Ti3N2 MXene monolayer

Computational Materials Science ◽

10.1016/j.commatsci.2021.110613 ◽

2021 ◽

Vol 197 ◽

pp. 110613

Author(s):

Ijeoma Cynthia Onyia ◽

Stella Ogochukwu Ezeonu ◽

Dmitri Bessarabov ◽

Kingsley Onyebuchi Obodo

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Theory ◽