Oxygen density dependent band gap of reduced graphene oxide

被引：155

作者：

Huang, Haiming ^{[1
]}

Li, Zhibing ^{[1
]}

She, Juncong ^{[1
]}

Wang, Weiliang ^{[1
]}

机构：

[1] Sun Yat Sen Univ, State Key Lab Optoelect Mat & Technol, Sch Phys & Engn, Guangzhou 510275, Guangdong, Peoples R China

来源：

JOURNAL OF APPLIED PHYSICS | 2012年 / 111卷 / 05期

基金：

中国国家自然科学基金;

关键词：

GENERALIZED GRADIENT APPROXIMATION; MICROWAVE-ASSISTED SYNTHESIS; TOTAL-ENERGY CALCULATIONS; PHOTOCATALYTIC REDUCTION; GRAPHITE; TRANSPARENT; COMPOSITE;

D O I：

10.1063/1.3694665

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We investigated the stability of reduced graphene oxide for oxygen density ranging from 6.25% to 50% with the density functional theory and found the most, the second most, and the third most stable oxygen configurations. The effect of relaxation of lattice on the electronic properties is found to be negligible for low O coverage and crucial for higher O coverage, respectively. The densities of states and the band gaps were calculated. The bandgap is found to be a non-monotonic function of oxygen density, with minima at O/C = 11.1% and 25%. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3694665]

引用

页数：4

共 50 条

[21] Spin-dependent band-gap driven by nitrogen and oxygen functional groups in zigzag graphene nanoribbons
Lopez-Urias, Florentino
Fajardo-Diaz, Juan L.
Cortes-Lopez, Alejandro J.
Rodriguez-Corvera, Cristina L.
Jimenez-Ramirez, Luis E.
Munoz-Sandoval, Emilio
APPLIED SURFACE SCIENCE, 2020, 521
[22] Role of oxygen functional groups in reduced graphene oxide for lubrication
Bhavana Gupta
Niranjan Kumar
Kalpataru Panda
Vigneshwaran Kanan
Shailesh Joshi
Iris Visoly-Fisher
Scientific Reports, 7
[23] Role of oxygen functional groups in reduced graphene oxide for lubrication
Gupta, Bhavana
Kumar, Niranjan
Panda, Kalpataru
Kanan, Vigneshwaran
Joshi, Shailesh
Visoly-Fisher, Iris
SCIENTIFIC REPORTS, 2017, 7
[24] Electrochemical Properties of Nitrogen and Oxygen Doped Reduced Graphene Oxide
Hartmann, Sean J.
Iurchenkova, Anna A.
Kallio, Tanja
Fedorovskaya, Ekaterina O.
ENERGIES, 2020, 13 (02)
[25] Reduced graphene oxide: a promising electrode material for oxygen electrodes
Danilov M.O.
Slobodyanyuk I.A.
Rusetskii I.A.
Kolbasov G.Y.
Journal of Nanostructure in Chemistry, 2013, 3 (1)
[26] Laser micromachining of oxygen reduced graphene-oxide films
Sinar, Dogan
Knopf, George K.
Nikumb, Suwas
Andrushchenko, Anatoly
MICROMACHINING AND MICROFABRICATION PROCESS TECHNOLOGY XIX, 2014, 8973
[27] Tailoring properties of reduced graphene oxide by oxygen plasma treatment
Kondratowicz, Izabela
Nadolska, Malgorzata
Sahin, Samet
Lapinski, Marcin
Przesniak-Welenc, Marta
Sawczak, Miroslaw
Yu, Eileen H.
Sadowski, Wojciech
Zelechowska, Kamila
APPLIED SURFACE SCIENCE, 2018, 440 : 651 - 659
[28] Optical Band Gap Alteration of Graphene Oxide via Ozone Treatment
Hasan, Md Tanvir
Senger, Brian J.
Ryan, Conor
Culp, Marais
Gonzalez-Rodriguez, Roberto
Coffer, Jeffery L.
Naumov, Anton V.
SCIENTIFIC REPORTS, 2017, 7
[29] Modulation of the band gap of graphene oxide: The role of AA-stacking
Hunt, A.
Dikin, D. A.
Kurmaev, E. Z.
Lee, Y. H.
Luan, N. V.
Chang, G. S.
Moewes, A.
CARBON, 2014, 66 : 539 - 546
[30] Optical Band Gap Alteration of Graphene Oxide via Ozone Treatment
Md Tanvir Hasan
Brian J. Senger
Conor Ryan
Marais Culp
Roberto Gonzalez-Rodriguez
Jeffery L. Coffer
Anton V. Naumov
Scientific Reports, 7

← 1 2 3 4 5 →