Differential Response of Doped/Defective Graphene and Dopamine to Electric Fields: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b04165 ◽

2015 ◽

Vol 119 (24) ◽

pp. 13972-13978 ◽

Author(s):

J. Ortiz-Medina ◽

F. López-Urías ◽

H. Terrones ◽

F. J. Rodríguez-Macías ◽

M. Endo ◽

...

Keyword(s):

Density Functional Theory ◽

Electric Fields ◽

Density Functional ◽

Differential Response ◽

Density Functional Theory Study ◽

Functional Theory ◽

Defective Graphene

Download Full-text

Density functional theory study on the adsorption of CO on X= (Mn and Tc)-doped graphene sheets in the presence and absence of static electric fields

Molecular Physics ◽

10.1080/00268976.2020.1822556 ◽

2020 ◽

pp. e1822556

Author(s):

Mahdi Rezaei-Sameti ◽

Mahdi Rakhshi

Keyword(s):

Density Functional Theory ◽

Electric Fields ◽

Density Functional ◽

Graphene Sheets ◽

Density Functional Theory Study ◽

Functional Theory ◽

Doped Graphene ◽

Adsorption Of Co ◽

Presence And Absence ◽

Static Electric Fields

Download Full-text

The density functional theory study of 2D nonmetallic catalyst defective graphene for acetylene hydration

International Journal of Quantum Chemistry ◽

10.1002/qua.26561 ◽

2020 ◽

Author(s):

Junqing Li ◽

Lihua Kang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Density Functional Theory ◽

Defective Graphene

Download Full-text

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 ◽

Download Full-text

Density Functional Theory Study of the Interaction of Arginine-Glycine-Aspartic Acid with Graphene, Defective Graphene, and Graphene Oxide

The Journal of Physical Chemistry C ◽

10.1021/jp310088e ◽

2013 ◽

Vol 117 (11) ◽

pp. 5708-5717 ◽

Author(s):

Ya-nan Guo ◽

Xiong Lu ◽

Jie Weng ◽

Yang Leng

Keyword(s):

Density Functional Theory ◽

Graphene Oxide ◽

Aspartic Acid ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Defective Graphene ◽

Arginine Glycine Aspartic Acid

Download Full-text

Tuning the Nanofriction Between Two Graphene Layers by External Electric Fields: A Density Functional Theory Study

Tribology Letters ◽

10.1007/s11249-015-0624-0 ◽

2015 ◽

Vol 61 (1) ◽

Author(s):

Jianjun Wang ◽

Jinming Li ◽

Chong Li ◽

Xiaolin Cai ◽

Wenguang Zhu ◽

...

Keyword(s):

Density Functional Theory ◽

Electric Fields ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Graphene Layers ◽

External Electric Fields

Download Full-text

A density functional theory study of the adsorption of bimetallic Fe n Pt m clusters on defective graphene: structural, electronic, and magnetic properties

Journal of Nanoparticle Research ◽

10.1007/s11051-013-1590-9 ◽

2013 ◽

Vol 15 (4) ◽

Author(s):

Duo Xu ◽

Jingxiang Zhao ◽

Xuanzhang Wang

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Defective Graphene

Download Full-text

Hydrogenated defective graphene as an anode material for sodium and calcium ion batteries: A density functional theory study

Carbon ◽

10.1016/j.carbon.2018.04.034 ◽

2018 ◽

Vol 136 ◽

pp. 73-84 ◽

Author(s):

Amir H. Farokh Niaei ◽

Tanveer Hussain ◽

Marlies Hankel ◽

Debra J. Searles

Keyword(s):

Density Functional Theory ◽

Anode Material ◽

Calcium Ion ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Defective Graphene

Download Full-text

Band gap control of small bundles of carbon nanotubes using applied electric fields: A density functional theory study

Applied Physics Letters ◽

10.1063/1.3478237 ◽

2010 ◽

Vol 97 (6) ◽

pp. 063113 ◽

Author(s):

Gunn Kim ◽

J. Bernholc ◽

Young-Kyun Kwon

Keyword(s):

Carbon Nanotubes ◽

Density Functional Theory ◽

Band Gap ◽

Electric Fields ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Download Full-text

Inside Cover: Structural and Magnetic Properties of 3d Transition-Metal-Atom Adsorption on Perfect and Defective Graphene: A Density Functional Theory Study (ChemPhysChem 15/2013)

ChemPhysChem ◽

10.1002/cphc.201390072 ◽

2013 ◽

Vol 14 (15) ◽

pp. 3422-3422

Author(s):

Tingting Zhang ◽

Liyan Zhu ◽

Shijun Yuan ◽

Jinlan Wang

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Transition Metal ◽

Density Functional ◽

Transition Metal Atom ◽

Density Functional Theory Study ◽

Functional Theory ◽

Structural And Magnetic Properties ◽

Defective Graphene

Download Full-text

Nitrotyrosine adsorption on defective graphene: A density functional theory study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2015.03.007 ◽

2015 ◽

Vol 70 ◽

pp. 170-175 ◽

Author(s):

R. Majidi ◽

A.R. Karami

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Defective Graphene

Download Full-text