Chemical bonding-induced rich electronic properties of oxygen adsorbed few-layer graphenes

Physical Chemistry Chemical Physics : PCCP
Ngoc Thanh Thuy TranMing-Fa Lin

Abstract

The electronic properties of graphene oxides enriched by strong chemical bonding are investigated using first-principles calculations. They are very sensitive to the changes in the number of graphene layers, stacking configuration, and distribution of oxygen. The feature-rich electronic structures exhibit destruction or distortion of the Dirac cone, opening of a band gap, anisotropic energy dispersions, O- and (C,O)-dominated energy dispersions, and extra critical points. All of the few-layer graphene oxides are semi-metals except for the semiconducting monolayer ones. For the former, the distorted Dirac-cone structures and the O-dominated energy bands near the Fermi level are revealed simultaneously. The orbital-projected density of states (DOS) has many special structures mainly coming from a composite energy band, the parabolic and partially flat ones. The DOS and spatial charge distributions clearly indicate the critical orbital hybridizations in O-O, C-O and C-C bonds, being responsible for the diversified properties.

References

Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Oct 15, 1996·Physical Review. B, Condensed Matter·G Kresse, J Furthmüller
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Aug 19, 2006·Science·Taisuke OhtaEli Rotenberg
Sep 7, 2006·Journal of Computational Chemistry·Stefan Grimme
Jul 27, 2007·Nature·Dmitriy A DikinRodney S Ruoff
Sep 4, 2008·Nano Letters·Jeremy T RobinsonPaul E Sheehan
Sep 4, 2008·Physical Review Letters·S Y ZhouA Lanzara
Feb 10, 2009·Nano Letters·K Andre MkhoyanManish Chhowalla
Jun 10, 2009·Nano Letters·P SutterE Sutter
Aug 8, 2009·Physical Review Letters·Vitor M Pereira, A H Castro Neto
Aug 25, 2010·ACS Nano·Daniela C MarcanoJames M Tour
Aug 1, 2009·Nature Chemistry·Wei GaoPulickel M Ajayan
Aug 2, 2011·Nature Nanotechnology·Wei GaoPulickel M Ajayan
Dec 19, 2012·Scientific Reports·Han HuangAndrew Thye Shen Wee
Jan 9, 2013·Physical Chemistry Chemical Physics : PCCP·Anna Yu RomanchukJames M Tour
Jun 12, 2013·ACS Nano·Yen-Chia ChenMichael F Crommie
Dec 18, 2014·Scientific Reports·Yao-Kung HuangMing-Fa Lin

❮ Previous
Next ❯

Citations

Dec 21, 2017·Scientific Reports·Ngoc Thanh Thuy TranMing-Fa Lin
Jul 30, 2019·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Ngoc Thanh Thuy TranMing-Fa Lin
Oct 24, 2020·The Journal of Chemical Physics·Hsin-Yi LiuJhao-Ying Wu

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Journal of Physics. Condensed Matter : an Institute of Physics Journal
C KamalS K Deb
Physical Review Letters
Sylvain Latil, Luc Henrard
Nano Letters
Hidenori GotoYoshihiro Kubozono
Nanoscale Research Letters
Xiaoning NiuDesheng Xue
Journal of Physics. Condensed Matter : an Institute of Physics Journal
S J GongJ H Chu
© 2022 Meta ULC. All rights reserved