Literature DB >> 15245234

Hallmark of perfect graphene.

Elizabeth J Duplock1, Matthias Scheffler, Philip J D Lindan.   

Abstract

Using first-principles calculations we show that the adsorption of atomic hydrogen on graphene opens a substantial gap in the electronic density of states in which lies a spin-polarized gap state. This spin is quenched by the presence of a rotated C-C bond (a Stone-Wales defect) adjacent to or distant from the H atom. We explain these findings and discuss the implications for nanotubes and magnetic nanographene. Furthermore, we demonstrate that the combined effect of high curvature and a Stone-Wales defect makes H2 chemisorption close to being thermodynamically favorable.

Entities:  

Year:  2004        PMID: 15245234     DOI: 10.1103/PhysRevLett.92.225502

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  10 in total

1.  Mechanical characterization of nanoindented graphene via molecular dynamics simulations.

Authors:  Te-Hua Fang; Tong Hong Wang; Jhih-Chin Yang; Yu-Jen Hsiao
Journal:  Nanoscale Res Lett       Date:  2011-08-03       Impact factor: 4.703

2.  Bandgap opening in graphene induced by patterned hydrogen adsorption.

Authors:  Richard Balog; Bjarke Jørgensen; Louis Nilsson; Mie Andersen; Emile Rienks; Marco Bianchi; Mattia Fanetti; Erik Laegsgaard; Alessandro Baraldi; Silvano Lizzit; Zeljko Sljivancanin; Flemming Besenbacher; Bjørk Hammer; Thomas G Pedersen; Philip Hofmann; Liv Hornekaer
Journal:  Nat Mater       Date:  2010-03-14       Impact factor: 43.841

3.  Directly writing flexible temperature sensor with graphene nanoribbons for disposable healthcare devices.

Authors:  Xue Gong; Long Zhang; Yinan Huang; Shuguang Wang; Gebo Pan; Liqiang Li
Journal:  RSC Adv       Date:  2020-06-10       Impact factor: 4.036

4.  Tuning electronic and magnetic properties of partially hydrogenated graphene by biaxial tensile strain: a computational study.

Authors:  Er Hong Song; Ghafar Ali; Sung Ho Yoo; Qing Jiang; Sung Oh Cho
Journal:  Nanoscale Res Lett       Date:  2014-09-13       Impact factor: 4.703

5.  A Co3O4-CDots-C3N4 three component electrocatalyst design concept for efficient and tunable CO2 reduction to syngas.

Authors:  Sijie Guo; Siqi Zhao; Xiuqin Wu; Hao Li; Yunjie Zhou; Cheng Zhu; Nianjun Yang; Xin Jiang; Jin Gao; Liang Bai; Yang Liu; Yeshayahu Lifshitz; Shuit-Tong Lee; Zhenhui Kang
Journal:  Nat Commun       Date:  2017-11-28       Impact factor: 14.919

Review 6.  Various defects in graphene: a review.

Authors:  Mahesh Datt Bhatt; Heeju Kim; Gunn Kim
Journal:  RSC Adv       Date:  2022-08-03       Impact factor: 4.036

7.  Electronic Structures, Bonding Configurations, and Band-Gap-Opening Properties of Graphene Binding with Low-Concentration Fluorine.

Authors:  Yuhua Duan; Charter D Stinespring; Benjamin Chorpening
Journal:  ChemistryOpen       Date:  2015-06-18       Impact factor: 2.911

8.  Spin-orbital effects in metal-dichalcogenide semiconducting monolayers.

Authors:  J A Reyes-Retana; F Cervantes-Sodi
Journal:  Sci Rep       Date:  2016-04-20       Impact factor: 4.379

9.  Reactivity of fluorographene is triggered by point defects: beyond the perfect 2D world.

Authors:  Miroslav Medveď; Giorgio Zoppellaro; Juri Ugolotti; Dagmar Matochová; Petr Lazar; Tomáš Pospíšil; Aristides Bakandritsos; Jiří Tuček; Radek Zbořil; Michal Otyepka
Journal:  Nanoscale       Date:  2018-03-08       Impact factor: 7.790

Review 10.  Structure of graphene and its disorders: a review.

Authors:  Gao Yang; Lihua Li; Wing Bun Lee; Man Cheung Ng
Journal:  Sci Technol Adv Mater       Date:  2018-08-29       Impact factor: 8.090

  10 in total

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