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):

Density Functional Theory ◽

Carbon Monoxide ◽

Transition Metal ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Carbon Monoxide Adsorption ◽

Metal Doped ◽

Armchair Graphene Nanoribbon ◽

Armchair Graphene

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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 ◽

Author(s):

You Xie ◽

Song Cao ◽

Xiu Wu ◽

Bing-Yi Yu ◽

Li-Yong Chen ◽

...

Keyword(s):

Density Functional Theory ◽

Hydrogen Sulfide ◽

Transition Metal ◽

Electric Fields ◽

Density Functional ◽

Bilayer Graphene ◽

Density Functional Theory Study ◽

Functional Theory ◽

External Electric Fields ◽

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

Catalysis Communications ◽

10.1016/j.catcom.2020.106090 ◽

2020 ◽

Vol 144 ◽

pp. 106090 ◽

Author(s):

Peng Zhang ◽

Xuejian Xu ◽

Erhong Song ◽

Xiuli Hou ◽

Xuejing Yang ◽

...

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Hydrogen Evolution ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Metal Doped ◽

Potential Oxygen

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Density functional theory study of pristine and transition metal doped fullerene

10.1063/1.4980340 ◽

2017 ◽

Author(s):

Debolina Paul ◽

Jyotirmoy Deb ◽

Barnali Bhattacharya ◽

Utpal Sarkar

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Density functional theory study of transition metal doped chalcogenides

10.1349/ddlp.2185 ◽

2015 ◽

Author(s):

Stefano Poggio

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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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):

Density Functional Theory ◽

Transition Metal ◽

Density Functional ◽

Co2 Reduction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electrochemical Catalyst ◽

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Density functional theory study of the interaction of carbon monoxide with the second-row transition-metal dimers

Chemical Physics ◽

10.1016/j.chemphys.2008.08.016 ◽

2008 ◽

Vol 354 (1-3) ◽

pp. 32-37 ◽

Author(s):

Ling Jiang ◽

Qiang Xu

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Transition Metal ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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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 ◽

Author(s):

Qian Chen ◽

Wei Zhu ◽

Xiandeng Hou ◽

Kailai Xu

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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A Density Functional Theory Study on Carbon Monoxide Adsorption on Platinum–Osmium and Platinum–Ruthenium–Osmium Alloys

The Journal of Physical Chemistry C ◽

10.1021/jp3074199 ◽

2012 ◽

Vol 116 (40) ◽

pp. 21447-21458 ◽

Author(s):

Nicholas Dimakis ◽

Thomas Mion ◽

Eugene S. Smotkin

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Carbon Monoxide Adsorption

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A density functional theory study of carbon monoxide adsorption on platinum-doped gold clusters

The European Physical Journal Applied Physics ◽

10.1051/epjap/2012120131 ◽

2012 ◽

Vol 60 (3) ◽

pp. 31301 ◽

Author(s):

Xiangjun Kuang ◽

Xinqiang Wang ◽

Gaobin Liu

Keyword(s):

Density Functional Theory ◽

Carbon Monoxide ◽

Density Functional ◽

Gold Clusters ◽

Density Functional Theory Study ◽

Functional Theory ◽

Carbon Monoxide Adsorption

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Density functional theory study of carbon monoxide adsorption on the inside and outside of the armchair single-walled carbon nanotubes

Current Applied Physics ◽

10.1016/j.cap.2010.11.071 ◽

2011 ◽

Vol 11 (3) ◽

pp. 776-782 ◽

Author(s):

K. Azizi ◽

S. Majid Hashemianzadeh ◽

Sh. Bahramifar

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Carbon Monoxide ◽

Density Functional ◽

Single Walled Carbon Nanotubes ◽

Density Functional Theory Study ◽

Functional Theory ◽

Carbon Monoxide Adsorption ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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