scholarly journals Carrier recombination mechanism at defects in wide band gap two-dimensional materials from first principles

2019 ◽  
Vol 100 (8) ◽  
Author(s):  
Feng Wu ◽  
Tyler J. Smart ◽  
Junqing Xu ◽  
Yuan Ping
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Wide Band ◽  
Two Dimensional ◽  
Wide Band Gap ◽  
Recombination Mechanism ◽  
Carrier Recombination ◽  
Two Dimensional Materials

scholarly journals Stable sandwich structures of two-dimensional iron borides FeBxalloy: a first-principles calculation

RSC Advances ◽  
2017 ◽  
Vol 7 (48) ◽  
pp. 30320-30326 ◽  
Author(s):  
Shao-Gang Xu ◽  
Yu-Jun Zhao ◽  
Xiao-Bao Yang ◽  
Hu Xu
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
First Principles ◽  
Sandwich Structures ◽  
Wide Band ◽  
First Principles Calculation ◽  
Two Dimensional ◽  
Wide Band Gap ◽  
Electronic And Optical Properties ◽  
Wide Band Gap Semiconductors

Multilayer iron borides FeBx(x= 4, 6, 8, 10) are wide-band-gap semiconductors; the electronic and optical properties of these semiconductors may be modulated by biaxial strains.

Layer-dependent photocatalysts of GaN/SiC-based multilayer van der Waals heterojunctions for Hydrogen Evolution

2021 ◽  
Author(s):  
Bojun Peng ◽  
Liang Xu ◽  
Jian Zeng ◽  
Xiaopeng Qi ◽  
Youwen Yang ◽  
...  
Keyword(s):  
Band Gap ◽  
Hydrogen Evolution ◽  
High Performance ◽  
Van Der Waals ◽  
Environmentally Friendly ◽  
Wide Band ◽  
Two Dimensional ◽  
Wide Band Gap ◽  
Van Der Waals Heterostructures ◽  
Composite Photocatalysts

The development of non-precious, high-performance and environmentally friendly wide band gap semiconductor composite photocatalysts is highly desirable. Here we report two-dimensional (2D) GaN/SiC-based multilayer van der Waals heterostructures for hydrogen...

Two-Dimensional BDT-Based Wide Band Gap Polymer Donor for Efficient Non-Fullerene Organic Solar Cells

2017 ◽  
Vol 121 (36) ◽  
pp. 19634-19641 ◽  
Author(s):  
Kai Zhang ◽  
Yunpeng Qin ◽  
Feng Li ◽  
Liangmin Yu ◽  
Mingliang Sun
Keyword(s):  
Solar Cells ◽  
Band Gap ◽  
Organic Solar Cells ◽  
Wide Band ◽  
Two Dimensional ◽  
Wide Band Gap

scholarly journals Band-gap tuning and optical response of two-dimensionalSixC1−x: A first-principles real-space study of disordered two-dimensional materials

2017 ◽  
Vol 96 (5) ◽  
Author(s):  
Banasree Sadhukhan ◽  
Prashant Singh ◽  
Arabinda Nayak ◽  
Sujoy Datta ◽  
Duane D. Johnson ◽  
...  
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Optical Response ◽  
Real Space ◽  
Two Dimensional ◽  
Two Dimensional Materials ◽  
Band Gap Tuning

New Two-Dimensional Wide Band Gap Hydrocarbon Insulator by Hydrogenation of a Biphenylene Sheet

2021 ◽  
pp. 8889-8896
Author(s):  
Yujie Liao ◽  
XiZhi Shi ◽  
Tao Ouyang ◽  
Jin Li ◽  
Chunxiao Zhang ◽  
...  
Keyword(s):  
Band Gap ◽  
Wide Band ◽  
Two Dimensional ◽  
Wide Band Gap

Two-dimensional wide band-gap nitride semiconductor GaN and AlN materials：properties, fabrication and applications

2021 ◽  
Author(s):  
Zhongxin Wang ◽  
Guodong Wang ◽  
Xintong Liu ◽  
Shouzhi Wang ◽  
Tailin Wang ◽  
...  
Keyword(s):  
Gallium Nitride ◽  
Band Gap ◽  
Hot Spot ◽  
Wide Band ◽  
Aluminium Nitride ◽  
Semiconductor Materials ◽  
Two Dimensional ◽  
Wide Band Gap ◽  
Nitride Semiconductor ◽  
New Generation

Gallium nitride (GaN) and aluminium nitride (AlN), as the representatives of new generation of wide band gap semiconductor materials, have become a hot spot in the semiconductor field due to...

scholarly journals Copper halide diselenium: predicted two-dimensional materials with ultrahigh anisotropic carrier mobilities

RSC Advances ◽  
2020 ◽  
Vol 10 (14) ◽  
pp. 8016-8026 ◽  
Author(s):  
Fazel Shojaei ◽  
Maryam Azizi ◽  
Zabiollah Mahdavifar ◽  
Busheng Wang ◽  
Gilles Frapper
Keyword(s):  
Band Gap ◽  
First Principles ◽  
Two Dimensional ◽  
Copper Halide ◽  
New Class ◽  
Two Dimensional Materials ◽  
Bonding Properties ◽  
High Carrier ◽  
Indirect Band Gap ◽  
Very High

The physical and bonding properties of a new class of two-dimensional materials – CuXSe2 (X = Cl, Br) – are investigated using first-principles methods. 2D CuXSe2 are indirect band gap and possess extremely anisotropic and very high carrier mobilities.

UNIFORM BENDING EFFECT ON ELECTRONIC PROPERTIES OF BORON NITRIDE NANORIBBONS: A COMPUTATIONAL INVESTIGATION

Nano LIFE ◽  
2012 ◽  
Vol 02 (02) ◽  
pp. 1240005
Author(s):  
YUNLONG LIAO ◽  
ZHONGFANG CHEN
Keyword(s):  
Boron Nitride ◽  
Band Gap ◽  
Electronic Properties ◽  
First Principles ◽  
Wide Band ◽  
Band Gaps ◽  
Computational Investigation ◽  
Wide Band Gap ◽  
Bending Effect ◽  
Boron Nitride Nanoribbons

First-principles computations were performed to investigate the uniform bending effect on the electronic properties of armchair boron nitride nanoribbons (aBNNRs) with experimentally obtained width. For both bare and hydrogen-terminated aBNNRs, the band gaps only slightly depend on the uniform bending. The insensitivity of the band structures of BNNRs to the uniform bending makes them ideal materials when their wide band gap character is desired.

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