Non-phase-separated 2D B–C–N alloys via molecule-like carbon doping in 2D BN: atomic structures and optoelectronic properties

Literature Information

Publication Date 2018-08-20
DOI 10.1039/C8CP03028F
Impact Factor 3.676
Authors

Xiang-Yang Ren, Sha Xia, Nian-Ke Chen, Xue-Peng Wang, Dan Wang, Zhan-Guo Chen


View Original

Abstract

Two-dimensional (2D) B–C–N alloys have recently attracted much attention but unfortunately, Chemical Vapor Deposition (CVD) B–C–N alloys typically phase separate. In spite of that, our analysis of the B–C–N alloy fabricated by electron-beam irradiation suggests that non-phase-separated B–C–N may in fact exist with a carbon concentration up to 14 at%. While this analysis points to a new way to overcome the phase-separation in 2D B–C–N, by first-principles calculations, we show that these B–C–N alloys are made of motifs with even numbers of carbon atoms, in particular, dimers or six-fold rings (in a molecule-like form), embedded in a 2D BN network. Moreover, by tuning the carbon concentration, the band gap of the B–C–N alloys can be reduced by 35% from that of BN. Due to a strong overlap of the wavefunctions at the conduction band and valance band edges, the non-phase-separated B–C–N alloys maintain the strong optical absorption of BN.

Related Literature

An ultra-sensitive gas sensor based on a two-dimensional manganese porphyrin monolayer

Ze-Wen Hao, Mi-Mi Dong, Rui-Qin Zhang, Chuan-Kui Wang, Xiao-Xiao Fu

2021-04-22 Paper

DOI: 10.1039/D1CP00747E

Back cover

2021-05-26 Cover

DOI: 10.1039/D1CP90112E

The design of anion–π interactions and hydrogen bonds for the recognition of chloride, bromide and nitrate anions

Renato Pereira Orenha, Vanessa Borges da Silva, Giovanni Finoto Caramori, Maurício Jeomar Piotrowski, Glaucio Regis Nagurniak, Renato Luis Tame Parreira

2021-04-21 Paper

DOI: 10.1039/D1CP00113B

Hydrogen adsorption trends on two metal-doped Ni2P surfaces for optimal catalyst design

Lauri Partanen, Simon Alberti, Kari Laasonen

2021-04-28 Paper

DOI: 10.1039/D1CP00684C

Direct dynamics in a proton transfer reaction of isomer product competition. Insight into the suppressed formation of the isoformyl cation

Yujie Wang, Siwei Zhao, Xu Liu, Wenqing Zhen, Gang Fu, Li Yang, Shaozeng Sun, Jiaxu Zhang

2021-04-04 Paper

DOI: 10.1039/D0CP06516A

A new perspective for evaluating the photoelectric performance of organic–inorganic hybrid perovskites based on the DFT calculations of excited states

Zhengyang Gao, Shengyi Chen, Yang Bai, Min Wang, Weijie Yang, Wei Li, Xunlei Ding

2021-04-28 Paper

DOI: 10.1039/D1CP01000J

Outstanding spin-transport properties of a flexible phosphorene photodetector driven by the photogalvanic effect under mechanical strains

Yufeng Xie, Juan Zhao, Yibin Hu, Xiang Ye, Yiqun Xie, Ronggen Cao

2021-05-04 Paper

DOI: 10.1039/D0CP06712A

Effects of solvation shell relaxation on chain association mechanisms in poly(3-hexylthiophene) solutions

Ching H. Wu, Chi C. Hua, Chun I. Wang

2021-05-04 Paper

DOI: 10.1039/D1CP00869B

Back cover

2021-05-19 Cover

DOI: 10.1039/D1CP90108G

Interaction topologies of the S⋯O chalcogen bond: the conformational equilibrium of the cyclohexanol⋯SO2 cluster

Rizalina T. Saragi, Marcos Juanes, Gang Feng, Alberto Lesarri

2021-04-14 Paper

DOI: 10.1039/D1CP00997D

You might also like

Compound Q&A

How should waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3) be handled?

Waste containing N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide (CAS: 898825-89-3...

898825-89-3N-Methoxy-N-methyl-1...
Compound Q&A

How should N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine (CAS: 1318338-47-4) be stored?

N-(4-Biphenylyl)dibenzo[b,d]furan-4-amine should be stored in a tightly sealed c...

1318338-47-4N-(4-Biphenylyl)dibe...
Compound Q&A

What is the market or research trend for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1)?

The market for 3-Acetamido-5-amino-2,4,6-triiodobenzoic acid (CAS: 1713-07-1) is...

1713-07-13-Acetamido-5-amino-...
Compound Q&A

How should Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) be stored?

Benzyl 2-O-acetyl-3,4,6-tri-O-benzyl-beta-D-galactopyranoside (CAS: 61820-03-9) ...

61820-03-9Benzyl 2-O-acetyl-3,...
Compound Q&A

What regulatory guidelines apply to 2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3)?

2-Ethylpiperazine dihydrochloride (CAS: 438050-52-3) is regulated under the Glob...

438050-52-32-Ethylpiperazine di...
Compound Q&A

What regulatory guidelines apply to 1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 119462-56-5)?

1,1'-[1,3-Phenylenebis(methylene)]bis(3-methyl-1H-pyrrole-2,5-dione) (CAS: 11946...

119462-56-51,1'-[1,3-Phenyleneb...
Compound Q&A

Are there alternatives to 5-Fluoro-2-(1-pyrrolidinyl)pyridine (CAS: 1287217-79-1) in synthesis?

Several alternatives can be used in the synthesis of 5-Fluoro-2-(1-pyrrolidinyl)...

1287217-79-15-Fluoro-2-(1-pyrrol...
Compound Q&A

What precautions should be taken when handling 6-Bromoimidazo[1,2-a]pyridin-8-amine (CAS: 676371-00-9)?

When handling 6-Bromoimidazo[1,2-a]pyridin-8-amine, it is important to wear appr...

676371-00-96-Bromoimidazo[1,2-a...
Compound Q&A

Are there alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS: 1049740-22-8) in synthesis?

Alternatives to (2S,4R)-4-(4-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochlo...

1049740-22-8(2S,4R)-4-(4-Nitrobe...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.