Electronic structures of Zn1−xGaxO1−xNx and band offsets of the ZnO/Zn1−xGaxO1−xNx heterojunction across the entire concentration range from first principles
Literature Information
Tianjiao Li, Xiaojie Liu, Yin Wang, Ronggen Cao, Haitao Yin
Band offsets at the heterointerfaces play a key role in defining the functionality of optoelectronic devices. In this work, the band gaps of wurtzite Zn1−xGaxO1−xNx alloys and the band offsets of the lattice matched ZnO/Zn1−xGaxO1−xNx heterojunction across the entire concentration range of GaN were investigated by the modified Becke–Johnson (mBJ) semi-local exchange combined with the coherent potential approximation (CPA). The calculated band gaps of Zn1−xGaxO1−xNx alloys can be tuned by the concentration of the doping GaN and show a strong band gap bowing. The heterojunctions ZnO/Zn1−xGaxO1−xNx form either type I or type II band alignment by adjusting the concentration of GaN; especially, when the concentration is in the range of 0.8 < x < 0.97, the band gaps of Zn1−xGaxO1−xNx cover visible light, and the heterojunctions show type II band alignment, which would help to enhance the solar light adsorption ability and improve the carrier collection efficiency in the design and optimization of ZnO and GaN-based heterojunctions for the applications of optoelectronics and photocatalysis.
Recommended Journals

Advances in Colloid and Interface Science

Journal of the American Chemical Society

Journal of the Chinese Chemical Society

Analyst

Chemistry of Natural Compounds

Bulletin of the Chemical Society of Japan

Canadian Metallurgical Quarterly

Accounts of Chemical Research

Anti-Corrosion Methods and Materials

Carbon
Related Literature
Au–silicananoparticles by “reverse” synthesis of cores in hollow silica shells
Sara Cavaliere-Jaricot, Masih Darbandi, Thomas Nann
DOI: 10.1039/B703811A
Facile approach to enhance the Pt utilization and CO-tolerance of Pt/C catalysts by physically mixing with transition-metal oxide nanoparticles
Lihong Yu
DOI: 10.1039/B618310G
Block copolymer mediated deposition of metal nanoparticles on germanium nanowires
Jiguang Zhang, Yuan Gao, Tobias Hanrath, Brian A. Korgel, Jillian M. Buriak
DOI: 10.1039/B616883C
Hybrid lipid bilayers in nanostructured silicon: a biomimetic mesoporous scaffold for optical detection of cholera toxin
Kristopher A. Kilian, Katharina Gaus, Justin King-Lacroix, Michael Gal, J. Justin Gooding
DOI: 10.1039/B702762A
Adenosine residues in the template do not block spontaneous replication steps of RNA
Stephanie R. Vogel, Clemens Richert
DOI: 10.1039/B702768K
Reversible operation of chiral molecular scissors by redox and UV light
Takahiro Muraoka, Takuzo Aida
DOI: 10.1039/B618248H
Challenging the absence of observable hydrogens in the assignment of absolute configurations by NMR: application to chiral primary alcohols
Félix Freire, José Manuel Seco, Emilio Quiñoá, Ricardo Riguera
DOI: 10.1039/B617184B
Temperature-controlled changeable oxygenation selectivity by singlet oxygen with a polymeric photosensitizer
Hisao Koizumi, Yumi Kimata, Yasuhiro Shiraishi, Takayuki Hirai
DOI: 10.1039/B617718B
You might also like
What precautions should be taken when handling 2-Chloro-1,2-bis(4-methylphenyl)ethanone (CAS: 71193-32-3)?
When handling 2-Chloro-1,2-bis(4-methylphenyl)ethanone (CAS: 71193-32-3), it is ...
What industries use 4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride (CAS: 224789-26-8)?
4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl...
How should Methyl 3-Oxo-4-Androsten-17-Carboxylate (CAS: 2681-55-2) be stored?
Methyl 3-Oxo-4-Androsten-17-Carboxylate (CAS: 2681-55-2) should be stored in a c...
What are the main uses of (R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid (CAS: 909725-61-7)?
(R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid is primarily used i...
What regulatory guidelines apply to 2-Methyl-2-propanyl 3-amino-3-carbamoyl-1-azetidinecarboxylate (CAS: 1254120-14-3)?
2-Methyl-2-propanyl 3-amino-3-carbamoyl-1-azetidinecarboxylate (CAS: 1254120-14-...
Are there alternatives to (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3) in synthesis?
There are alternative reagents that can be used in synthesis instead of (E)-4-(t...
What are the physical and chemical properties of [2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methanol (CAS: 121202-20-8)?
[2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methanol (CAS: 121202-20-8) is a crystallin...
What is the market or research trend for Methyl (2S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]{[(4-methylphenyl)sulfonyl]oxy}acetate (CAS: 166249-17-8)?
The market and research trends for Methyl (2S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4...
What is the market or research trend for 1-Bromo-2-isocyanatoethane (CAS: 42865-19-0)?
The market for 1-Bromo-2-isocyanatoethane (CAS: 42865-19-0) is driven by its use...
What are the main uses of 4-Nitro-D-phenylalanine hydrochloride (CAS: 147065-06-3)?
4-Nitro-D-phenylalanine hydrochloride (CAS: 147065-06-3) is primarily used in re...
Source Journal
Physical Chemistry Chemical Physics

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.




