Electronic structure, optoelectronic properties and enhanced photocatalytic response of GaN-GeC van der Waals heterostructures: a first principles study

Huong Pham T.; Idrees M.; Amin B.; Hieu Nguyen N.; Phuc Huynh V; Hoa Le T.; Nguyen Chuong V

首页> 外文期刊>RSC Advances >Electronic structure, optoelectronic properties and enhanced photocatalytic response of GaN-GeC van der Waals heterostructures: a first principles study

【24h】

Electronic structure, optoelectronic properties and enhanced photocatalytic response of GaN-GeC van der Waals heterostructures: a first principles study

机译：电子结构，光电性能和增强GaN-Gec Van der Waals异质结构的光催化反应：第一个原理研究

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

In this work, we systematically studied the electronic structure and optical characteristics of van der Waals (vdW) heterostructure composed of a single layer of GaN and GeC using first principles calculations. The GaN-GeC vdW heterostructure exhibits indirect band gap semiconductor properties and possesses type-II energy band arrangement, which will help the separation of photogenerated carriers and extend their lifetime. In addition, the band edge positions of the GaN-GeC heterostructure meet both the requirements of water oxidation and reduction energy, indicating that the photocatalysts have the potential for water decomposition. The GaN-GeC heterostructure shows obvious absorption peaks in the visible region, leading to the efficient use of solar energy. Tensile and compressive strains of up to 10% are also proposed. Tensile strain leads to an increase in the blue shift of optical absorption, whereas a red shift is observed in the case of the compressive strain. These fascinating characteristics make the GaN-GeC vdW heterostructure a highly effective photocatalyst for water splitting.

机译：在这项工作中，我们系统地研究了VAN der WAALS（VDW）异质结构的电子结构和光学特性，使用第一原理计算由单层GaN和GEC组成。 GaN-GEC VDW异质结构表现出间接带隙半导体性能，并且具有II型能带装置，其将有助于光生载体分离并延长它们的寿命。另外，GaN-GEC异质结构的带边缘位置满足水氧化和减少能量的要求，表明光催化剂具有水分分解的潜力。 GaN-Gec异质结构显示出可见区域中的明显吸收峰，导致太阳能的有效利用。还提出了高达10％的拉伸和压缩菌株。拉伸应变导致光学吸收的蓝色偏移的增加，而在压缩菌株的情况下观察到红色偏移。这些迷人的特性使GaN-GEC VDW异质结构成为水分裂的高效光催化剂。

著录项

来源
《RSC Advances》 |2020年第40期|共7页
作者
Huong Pham T.; Idrees M.; Amin B.; Hieu Nguyen N.; Phuc Huynh V; Hoa Le T.; Nguyen Chuong V;
展开▼
作者单位

Ton Duc Thang Univ Inst Computat Sci Div Computat Math &

Engn Ho Chi Minh City Vietnam;

Hazara Univ Dept Phys Mansehra 21300 Pakistan;

Abbottabad Univ Sci &

Technol Dept Phys Abbottabad 22010 Pakistan;

Duy Tan Univ Inst Res &

Dev Da Nang 550000 Vietnam;

Dong Thap Univ Div Theoret Phys Cao Lanh 870000 Vietnam;

Duy Tan Univ Inst Res &

Dev Da Nang 550000 Vietnam;

Le Quy Don Tech Univ Dept Mat Sci &

Engn Hanoi 100000 Vietnam;

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类化学;
关键词

相似文献

外文文献
中文文献
专利

1. Generalized Van der Waals Equation for Liquid-Vapor Equilibria in a Stationary Gravitational Field [J] . Makokiyu Godlove Akumbom, Georges Collince Fouokeng, Martin Tchoffo, 凝固态物理国际期刊（英文） . 2021,第001期
2. Multiplicity of thermodynamic states of van der Waals gas in nanobubbles [J] . Xu Tang, Hongguang Zhang, Zhenjiang Guo, 中国化学工程学报（英文版） . 2021,第003期
3. Applications of 2D-Layered Palladium Diselenide and Its van der Waals Heterostructures in Electronics and Optoelectronics [J] . Yanhao Wang, Jinbo Pang, Qilin Cheng, 纳微快报：英文版 . 2021,第009期
4. Electronic structure, optoelectronic properties and enhanced photocatalytic response of GaN-GeC van der Waals heterostructures: a first principles study [J] . Huong Pham T., Idrees M., Amin B., RSC Advances . 2020,第40期

机译：电子结构，光电性能和增强GaN-Gec Van der Waals异质结构的光催化反应：第一个原理研究
5. Electronic and optoelectronic properties of van der Waals heterostructure based on graphene-like GaN, blue phosphorene, SiC, and ZnO: A first principles study [J] . M. Idrees, Chuong V. Nguyen, H. D. Bui, Journal of Applied Physics . 2020,第24期

机译：基于石墨烯GaN，蓝磷烯，SiC和ZnO的van der WaaS的电子和光电性能：第一个原理研究
6. Electronic and photocatalytic properties of two-dimensional boron phosphide/SiC van der Waals heterostructure with direct type-II band alignment: a first principles study [J] . Do Thi-Nga, Idrees M., Amin Bin, RSC Advances . 2020,第53期

机译：二维硼磷化物/ SiC van der Waals异质结构的电子和光催化性能与直接II型带对准：第一个原则研究
7. Comparative study of van der Waals interaction in monolayer MoS_2/Blue Phosphorene and monolayer WS2/Blue Phosphorene based heterostructures: First principle investigations [C] . Nivedita Pandey, Subhananda Chakrabarti Conference on Low-Dimensional Materials and Devices . 2020

机译：van der Waals在单层MOS_2 /蓝磷烯和单层WS2 /蓝磷烯基异质结构中的相互作用的对比研究：第一原理调查
8. Characterization and Electronic Properties of Moiré Superlattices in Van Der Waals Heterostructures [D] . Wang, Yibo. 2019

机译：van der Waals异质结构的莫尔超晶格的特征和电子特性
9. Electronic structures and enhanced optical properties of blue phosphorene/transition metal dichalcogenides van der Waals heterostructures [O] . Qiong Peng, Zhenyu Wang, Baisheng Sa, -1

机译：蓝色磷光体/过渡金属二卤化钒范德华结构的电子结构和增强的光学性质
10. Electronic structure, optoelectronic properties and enhanced photocatalytic response of GaN–GeC van der Waals heterostructures: a first principles study [O] . Pham T. Huong, M. Idrees, B. Amin, 2020

机译：电子结构，光电性能和增强GaN-Gec Van der Waals异质结构的光催化反应：第一个原理研究

Electronic structure, optoelectronic properties and enhanced photocatalytic response of GaN-GeC van der Waals heterostructures: a first principles study

摘要

著录项

相似文献

相关主题

期刊订阅