Functionalization of edge reconstructed graphene nanoribbons by H and Fe: A density functional study

Soumyajyoti Haldar; Sumanta Bhandary; Satadeep Bhattacharjee; Olle Eriksson; Dilip Kanhere; Biplab Sanyal

doi:10.1016/j.ssc.2012.06.028

Functionalization of edge reconstructed graphene nanoribbons by H and Fe: A density functional study

Solid State Communications ◽

10.1016/j.ssc.2012.06.028 ◽

2012 ◽

Vol 152 (18) ◽

pp. 1719-1724 ◽

Cited By ~ 5

Author(s):

Soumyajyoti Haldar ◽

Sumanta Bhandary ◽

Satadeep Bhattacharjee ◽

Olle Eriksson ◽

Dilip Kanhere ◽

...

Keyword(s):

Density Functional ◽

Graphene Nanoribbons ◽

Functional Study ◽

Density Functional Study

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Density functional study on the increment of carrier mobility in armchair graphene nanoribbons induced by Stone–Wales defects

Physical Chemistry Chemical Physics ◽

10.1039/c1cp20541b ◽

2011 ◽

Vol 13 (25) ◽

pp. 11939 ◽

Cited By ~ 34

Author(s):

Guo Wang

Keyword(s):

Carrier Mobility ◽

Density Functional ◽

Graphene Nanoribbons ◽

Functional Study ◽

Density Functional Study ◽

Armchair Graphene Nanoribbons ◽

Armchair Graphene

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Ti-decorated zigzag graphene nanoribbons for hydrogen storage. A van der Waals-corrected density-functional study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2014.12.134 ◽

2015 ◽

Vol 40 (14) ◽

pp. 4960-4968 ◽

Cited By ~ 32

Author(s):

A. Lebon ◽

J. Carrete ◽

L.J. Gallego ◽

A. Vega

Keyword(s):

Hydrogen Storage ◽

Density Functional ◽

Graphene Nanoribbons ◽

Van Der Waals ◽

Functional Study ◽

Density Functional Study ◽

Zigzag Graphene Nanoribbons

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Lateral in-plane coupling between graphene nanoribbons: A density functional study

Journal of Applied Physics ◽

10.1063/1.3686673 ◽

2012 ◽

Vol 111 (4) ◽

pp. 043714 ◽

Cited By ~ 2

Author(s):

Jianhua Zhao ◽

Xianqi Dai ◽

Yawei Dai ◽

Bao Zhao ◽

Maohai Xie

Keyword(s):

Density Functional ◽

Graphene Nanoribbons ◽

Functional Study ◽

Density Functional Study

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Magnetism in graphene nanoribbons on Ni(111): First-principles density functional study

Physical Review B ◽

10.1103/physrevb.82.245426 ◽

2010 ◽

Vol 82 (24) ◽

Cited By ~ 17

Author(s):

K. Sawada ◽

F. Ishii ◽

M. Saito

Keyword(s):

First Principles ◽

Density Functional ◽

Graphene Nanoribbons ◽

Functional Study ◽

Density Functional Study

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Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

Journal of Computational Chemistry ◽

10.1002/jcc.5 ◽

1996 ◽

Vol 17 (16) ◽

pp. 1848-1856 ◽

Cited By ~ 2

Author(s):

Guntram Rauhut

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of the First-Row Transition-Metal Monoxides*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1996.1.1.039 ◽

1996 ◽

Vol 1 (1) ◽

pp. 39-49

Author(s):

J. Piechota ◽

M. Suffczyński

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Predicted structures and electronic properties of gallium-indium clusters GamInn–m (n = 4, 6, 8 and m < n): A density functional study

Журнал структурной химии ◽

10.26902/jsc20180501 ◽

2018 ◽

Vol 59 (5) ◽

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: A comparative density functional study

The Journal of Chemical Physics ◽

10.1063/1.2831583 ◽

2008 ◽

Vol 128 (9) ◽

pp. 094307 ◽

Cited By ~ 51

Author(s):

Ellie L. Uzunova ◽

Hans Mikosch ◽

Georgi St. Nikolov

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

3D Elements

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Density functional study of non-isothermal hard sphere fluids

Molecular Physics ◽

10.1080/00268976.2021.1875077 ◽

2021 ◽

pp. e1875077

Author(s):

Wenhan Jia ◽

Isamu Kusaka

Keyword(s):

Hard Sphere ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Charge transport properties in functionalized triphenylene and coronene derivatives: a density functional study using different functionals

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2020.1870201 ◽

2021 ◽

pp. 1-15

Author(s):

Ziran Chen ◽

Yujin Zhang ◽

Yuan Li ◽

Wenhao Yu

Keyword(s):

Charge Transport ◽

Transport Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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