个人简介：

许梁，男，中共党员，1981年12出生，博士，副教授，湖南衡阳人。现任江西理工大学新能源材料计算模拟中心主任，从事光催化、新能源材料与器件的设计和物性研究，主持国家自然科学基金、博士后基金、江西省自然科学基金青年重点（杰青）等项目；入选2019年江西省高层次人才、江西省赣州市青年创新人才、江西省高新技术企业认定评审专家库、中国有色金属专家库、全国能源材料与器件专家委员会委员、国内英文期刊Advanced Powder Materials和Tungsten青年编委、江西理工大学青年科技标兵；荣获2019年江西省自然科学奖三等奖（第一完成人），2018年全国三维数字化创新设计大赛一等奖，全国大学生机器人大赛ROBOMASTER 2020机甲大师赛三等奖；近五年在Chem. Mater.，ACS Appl. Mater. Inter.，J. Mater. Chem. C，J. Phys. Chem. C，Catal. Sci. Technol.，Appl. Surf. Sci.等国际著名期刊发表SCI论文60余篇，被SCI他引1000余次，编写专著1部，申请专利15项，获批专利10项，软件著作权3项。

主要研究方向：计算材料学与计算凝聚态物理

（1）二维材料；

（2）范德华异质结光催化剂；

（3）碳基光电材料与器件；

（4）半导体材料中的电子与声子的输运；

（5）新材料预测与材料缺陷态分析；

（6）自旋电子学与分子电子学的纳米电子器件设计。

科研获奖

1. 主持在研科研项目及经费：

[1] 江西省科学技术厅，青年重点（杰青），20202ACBL211004，非金属范德华异质结光催化剂的设计及其性能调控机制研究，2020-01至2022-12，20万元，在研，主持

[2] 赣州市科技创新人才计划项目，低维纳米复合光催化制氢材料的设计与活性增强机理研究，2020-01至2022-12，5万元，在研，主持

[3] 国家自然科学基金委员会，地区项目，11764018，hBN封装二维材料的物性及屏蔽效应的理论研究，2018-01至2021-12，42万元，在研，主持

2. 学术论文：

[1] Xin Huang, Liang Xu*, Haotian Li, Shuaihao Tang, Zongle Ma, Jian Zeng, Feilong Xiong, Zhengquan Li, Ling-Ling Wang. Two-dimensional PtSe₂/hBN vdW heterojunction as photoelectrocatalyst for the solar-driven oxygen evolution reaction: A First Principles Study. Applied Surface Science, 2021, 151207.

[2] Jian Zeng, Liang Xu*, Xin Luo, Tong Chen, Shuai-Hao Tang, Xin Huang, Ling-Ling Wang. Z-scheme systems of ASi₂N₄ (A= Mo or W) for photocatalytic water splitting and nanogenerators. Tungsten, 2021, 1-8.

[3] Jian Zeng, Liang Xu*, Kejun Dong, Kai Yang, Ling-Ling Wang. Multiple Heterojunction System of Boron Nitride‐Graphene/Black Phosphorene as Highly Efficient Solar Cell. Advanced Theory and Simulations, 2021, 2100169.

[4] Liang Xu*, Xin Huang, Shixian Xiong, Zhiyong Wang, Bojun Peng, Zongle Ma, Jian Zeng, Haotian Li, Shuaihao Tang, Zhengquan Li, Ling-Ling Wang, Type-II CeO₂(111)/hBN vdW heterojunction for enhanced photocatalytic hydrogen evolution: A first principles study. International Journal of Hydrogen Energy, 2021, 46 (49), 25060-25069.

[5] Liang Xu*, Jian Zeng, Quan Li, Libin Xia, Xin Luo, Zongle Ma, Bojun Peng, SX Xiong, Zhengquan Li, Ling-Ling Wang, Yongpeng Lei*. Defect-engineered 2D/2D hBN/g-C₃N₄ Z-scheme heterojunctions with full visible-light absorption: Efficient metal-free photocatalysts for hydrogen evolution. Applied Surface Science, 2021, 547, 149207.  ESI热点论文

[6] Jian Zeng, Liang Xu*, Youwen Yang, Xin Luo, Hong-Ju Li, SX Xiong, Ling-Ling Wang. Boosting the photocatalytic hydrogen evolution performance of monolayer C₂N coupled with MoSi₂N₄: density-functional theory calculations. Physical Chemistry Chemical Physics, 2021, 23 (14), 8318-8325.

[7] Jian Zeng, Liang Xu*, Xin Luo, Bojun Peng, Zongle Ma, Ling-Ling Wang, Youwen Yang, Cijun ShuaiA novel design of SiH/CeO₂(111) van der Waals type-II heterojunction for water splitting. Physical Chemistry Chemical Physics, 2021, 23 (4), 2812-2818.  ESI高被引论文

[8] Bojun Peng, Liang Xu*, Jian Zeng, Xiaopeng Qi, Youwen Yang, Zongle Ma, Xin Huang, Ling-Ling Wang, Cijun ShuaiLayer-dependent photocatalysts of GaN/SiC-based multilayer van der Waals heterojunctions for hydrogen evolution. Catalysis Science & Technology, 2021, 11 (9), 3059-3069.

[9] Liang Xu, Jian Zeng, Xin Luo*, Libin Xia, Zongle Ma, Bojun Peng, Zhengquan Li, Xiang Zhai, Lingling WangDual-Band Plasmonic Perfect Absorber Based on the Hybrid Halide Perovskite in the Communication Regime. Coatings, 2021, 11 (1), 67.

[10] Liang Xu*, Jian Zeng, Quan Li, Tong Chen, Kai-Wu Luo, Xin Luo, Bojun Peng, Zongle Ma, Ling-Ling Wang, Xiaojun Zhu, Shuhui Huang, Desheng Liu, SX Xiong, Cijun Shuai*. Insight into enhanced visible-light photocatalytic activity of SWCNTs/g-C₃N₄ nanocomposites from first principles. Applied Surface Science, 2020, 530: 147181.

[1] Liang Xu*, Zongle Ma, Quan Li, Tong Chen, Bojun Peng, Jian Zeng, Yingbin Zhang, Kai-Wu Luo, Ling-Ling Wang, Cijun Shuai*. 2D layered SiC/C₂N van der Waals type-II heterostructure: a visible-light-driven photocatalyst for water splitting. New Journal of Chemistry, 2020, 44(36): 15439-15445.

[2] Liang Xu, Quan Li*, Xiao-Fei Li, Mengqiu Long, Tong Chen, Bojun Peng, Ling-Ling Wang, Youwen Yang, Cijun Shuai*. Rationally designed 2D/2D SiC/g-C3N4 photocatalysts for hydrogen production. Catalysis Science & Technology, 2019, 9(15): 3896-3906.

[3] Liang Xu, Bojun Peng, Xin Luo*, Xiang Zhai, Lingling Wang. A broadband and polarization-insensitive perfect absorber based on a van der Waals material in the mid-infrared regime. Results in Physics, 2019, 15: 102687.

[4] Quan Li, Liang Xu*, Kai-Wu Luo, Ling-Ling Wang, Xiao-Fei Li. SiC/MoS₂ layered heterostructures: Promising photocatalysts revealed by a first-principles study. Materials Chemistry and Physics, 2018, 216:64-71.

[5] Liang Xu, Wei-Qing Huang*, Wangyu Hu, Ke Yang, Bing-Xin Zhou, Anlian Pan, Gui-Fang Huang*. Two-dimensional MoS₂-graphene-based multilayer van der Waals heterostructures: enhanced charge transfer and optical absorption, and electric-field tunable dirac point and band gap. Chemistry of Materials, 2017, 29(13): 5504-5512.

[6] Quan Li, Liang Xu*, Kai-Wu Luo, Xiao-Fei Li, Wei-Qing Huang, Ling-Ling Wang, Ya-Bin Yu. Electric-field-induced widely tunable direct and indirect band gaps in hBN/MoS₂ van der Waals heterostructures. Journal of Materials Chemistry C, 2017, 5(18): 4426-4434 .

[7] Quan Li, Liang Xu*, Kai-Wu Luo, Wei-Qing Huang*, Ling-Ling Wang, Xiao-Fei Li, Gui-Fang Huang, Ya-Bin Yu. Insights into enhanced visible-light photocatalytic activity of C₆₀ modified g-C₃N₄ hybrids: the role of nitrogen. Physical Chemistry Chemical Physics, 2016, 18(48): 33094-33102.

[8] Kai-Wu Luo, Liang Xu*, Ling-Ling Wang*, Quan Li, Zhiyong Wang. Ferromagnetism in zigzag GaN nanoribbons with tunable half-metallic gap. Computational Materials Science, 2016, 117: 300-305.

[9] Liang Xu, Wei-Qing Huang*, Ling-Ling Wang, Ze-An Tian, Wangyu Hu, Yanming Ma, Xin Wang, Anlian Pan, Gui-Fang Huang*. Insights into enhanced visible-light photocatalytic hydrogen evolution of g-C₃N₄ and highly reduced graphene oxide composite: the role of oxygen. Chemistry of Materials, 2015, 27(5): 1612-1621. 高被引论文

[10] Kai-Wu Luo, Liang Xu*, Ling-Ling Wang*, Quan Li, Wei-Qing Huang, Gui-Fang Huang, Xiao-Fei Li. Half-metallic ferromagnetism in Fe-chain-embedded zigzag boron-nitride nanoribbons with line defect. Physica E: Low-dimensional Systems and Nanostructures, 2015, 74: 431-437.

[11] Quan Li, Liang Xu*, Ling-Ling Wang*, Kai-Wu Luo, Wei-Qing Huang, Xiao-Fei Li, Ya-Bin Yu. Fantastic parity effects on the electronic and magnetic properties of zigzag graphene nanoribbons with side-attached trans-polyacetylene. EPL (Europhysics Letters), 2015, 111(1): 17006.

[12] Liang Xu, Wei-Qing Huang*, Ling-Ling Wang, Gui-Fang Huang*, Interfacial interactions of semiconductor with graphene and reduced graphene oxide: CeO2 as a case study, ACS applied materials & interfaces, 2014, 6(22): 20350-20357.

[13] Liang Xu, Wei-Qing Huang*, Ling-Ling Wang, Gui-Fang Huang*, Ping Peng, Mechanism of superior visible-light photocatalytic activity and stability of hybrid Ag₃PO₄/graphene nanocomposite. The Journal of Physical Chemistry C, 2014, 118(24): 12972-12979.

[14] Liang Xu, Ling-Ling Wang*, Wenzhi Xiao, Gang Xiao, Wei-Qing Huang. A comparative study on magnetism in Zn-doped AlN and GaN from first-principles. Journal of Applied Physics, 2014, 116(10): 103908.

[15] Liang Xu, Ling-Ling Wang*, Wei-Qing Huang, Xiao-Fei Li, Wenzhi Xiao. Spin and band-gap engineering in zigzag graphene nanoribbons with methylene group. Physica E: Low-dimensional Systems and Nanostructures, 2014, 63: 259-263.

1. 著作：

[1] 许梁、李权、陈铜、王玲玲、罗昕，范德华异质结光催化剂的第一性原理研究，中南大学出版社，2021.8。

2. 获奖：

[1] 许梁，第十九届全国大学生机器人大赛ROBOMASTER 2020 机甲大师赛（线上），机甲大师超级对抗赛，三等奖，2020。

[2] 许梁、李权、黄维清、王玲玲、胡望宇，二维层状范德华异质结光催化剂的第一性原理研究，江西省科学技术奖（自然科学奖），三等奖，2019。

[3] 许梁、肖斌，江西理工大学关于学习党的十九届四中全会精神论文征集活动成果奖，2019。

[4] 许梁、陈敏，车动式绿篱修剪机，全国三维数字化创新设计大赛江西赛区一等奖（龙鼎奖），2018。

3. 专利：

[1] 许梁、曾坚、李权、胡丽芸、马宗乐、彭博军，一种PC/ABS掺杂复合超韧材料，2021-09-07，中国，ZL201911203696.7

[2] 许梁、彭博军、肖斌、曾坚、马宗乐，一种二维材料用质检设备，2020-11-06，中国， ZL202020094693.6。

[3] 许梁、肖宁丰、曾坚、马宗乐、彭博军，一种纳米材料生产用搅拌装置，2020-09-18，中国，ZL202020002793.1。

[4] 许梁、彭博军、肖斌、马宗乐、曾坚，一种钙钛矿复合光催化材料的制备装置，2020-09-18，中国，ZL202020004318.8。

[5] 许梁、马宗乐、李政权、曾坚、彭博军，一种用于光催化产氢的设备，2020-09-04，中国，ZL202020115632.3。

[6] 许梁、肖宁丰、赵萌萌、苏宏炜、李权，一种共享电动汽车安防报警装置，2020-08-21，中国，ZL202020059490.3。

[7] 许梁、曾坚、肖斌、彭博军、马宗乐，一种柔性有机光电器件的安装结构，2020-07-10，中国，ZL202020002583.2。

[8] 许梁、赵萌萌、肖宁丰、苏宏炜、肖斌，一种汽车安防监控摄像的成像设备，2020-05-29，中国，ZL202020059957.4。

[9] 许梁、彭博军、李权、胡丽芸、曾坚、马宗乐，一种物理化学气象沉积装置，2020-06-23，中国，ZL201922106669.X。

[10] 许梁、胡丽芸、李权，一种热水器控制装置和热水器，2018-12-25，中国，ZL 201820909525.0。