2013.9 - 2018.7 北京大学 力学（先进材料与力学） 理学博士 （导师：王前教授）
2009.9 - 2013.6 武汉大学 物理学 理学学士
2011.9 - 2013.6 武汉大学 商学 经济学学士（双学位）
2016.3 - 2016.6 匹兹堡大学 访问学者
2021.3 - 今 北京交通大学 副教授 物理系副系主任
2018.7 - 2021.2 北京大学 博雅博士后
欢迎具有物理、化学、材料、计算机等背景的同学来组读研，课题组将提供良好的研究平台以及助研津贴。希望通过你的努力，为自己未来的事业做好铺垫！
对表现突出的同学，课题组将提供国内外学术交流机会！
课题组NEWS
2) 2023.6 辛嘉琪同学的论文“Screening two-dimensional pyroelectric materials based on pentagonal chains with large shift current” 被 Physical Review Materials 接收！Congratulations！
1）2022.3 Large piezoelectricity and BPVE have been found in pure pentagon based ternary monolayers. See our paper: NPJ Computational Materials, 8, 40 (2022)
学生获奖
3) 2023.10 李彦霖同学获23-24年度一等学业奖学金、一数奖学金、北京交通大学优秀学生干部、社会实践优秀个人！
2）2023.5 辛嘉琪同学负责的2022年度大学生创新创业训练项目获评“国家级”！
1）2022.10 李彦霖同学获22-23年度北京交通大学优秀共青团干部
在读学生
2022.9 Welcome Yanlin Li (李彦霖) join our group！His research will focus on the photo-electric conversion in polar materials by using first-principles calculations.
Self-introduction：我是李彦霖，22岁，本科专业是纳米材料与技术，是正在向卷王进化的科研趴菜。爱好是弹弹钢琴唱唱歌。爱运动，爱刺激，爱生活，爱自由。
2022.9 Welcome Jiaqi Xin (辛嘉琪) join our group! His research will focus on the design of low-dimensional polar materials with high-through techniques and their applications in energy conversion.
Self-introduction：我是山西太原人，22岁。有些轻微的工作狂属性，不过学习之余还是有一些爱好，除去“吃面”这一项，其他大约可归结为“唱跳rap篮球”：喜欢玩点吉他弹唱，会一点饶舌；篮球打得还行，就是年事已高体力不复往日了；最喜欢的球员是詹姆斯·哈登，最喜欢的作家是石黑一雄，最喜欢的活动是陪女朋友逛街。
2023.9 Welcome Wanyu Zhang (张婉玉) join our group! Her research will focus on vdW heterojunctions and their applications in electronic and optoelectronic devices.
Self-introduction：我是张婉玉，来自山东济南，是正在重新学习回归校园努力学习的科研小白，喜欢看风景，撸猫和拍照，技术还在修炼中。
课题组合影
2022秋
- 理论凝聚态物理
- 物理学硕士
项目主持
2022.01-2024.12 国家自然科学基金青年项目 基于二维Janus材料肖特基异质结太阳能电池的设计与模拟 30万
2019.06-2020.06 中国博士后科学基金面上资助 二维GaN-石墨烯范德华异质结在半导体器件中的性质模拟 8万
项目参与
2017.01-2019.12 国家重点研发计划（政府间合作） 应用于能源与环境的氮掺杂碳材料的设计与合成 300万
2018.01-2021.12 国家自然科学基金面上项目 包含二聚物的二维过渡金属化合物的结构设计与性质模拟 87万
2015.01-2018.12 国家自然科学基金面上项目 基于轻质非金属元素的新型金属材料的设计与模拟研究 84万
2011.01-2015.12 国家自然科学基金面上项目 2p电子磁性材料的设计与模拟研究 60万
本科生课程
大学物理A I/II
研究生课程
计算物理导论
近代物理实验
2023
42）Changsheng Hou, Yiheng Shen, Jiaqi Xin, Yaguang Guo,* Qian Wang*
"Three-dimensional porous borocarbonitride composed of pentagonal motifs as a high-performance pyroelectric material"
Physical Chemistry Chemical Physics, (2023)
41) Jiaqi Xin, Yaguang Guo,* and Qian Wang
"Screening two-dimensional pyroelectric materials based on pentagonal chains with large shift current"
Phys. Rev. Materials, 7, 074001, (2023)
40）Zhichao Hao, Li-juan Ma,* Yaguang Guo, Jianfeng Jia, and Hai-shun Wu
"Immobilized triatomic CuB2 clusters on 2D carbon nitride: highly selective conversion of CO to ethanol at low potentials"
Phys. Chem. Chem. Phys., 25, 11501-11512 (2023)
2022
39）Yaguang Guo, Jian Zhou, Huanhuan Xie, Yanyan Chen, and Qian Wang*
"Screening Transition Metal-Based Polar Pentagonal Monolayers with Large Piezoelectricity and Shift Current"
NPJ Computational Materials, 8, 40 (2022)
知社学术圈报道：https://mp.weixin.qq.com/s/n9Snx_HzOwDlCQujW2drGQ
38) Arzoo Hassan, Muhammad Azhar Nazir, Yiheng Shen, Yaguang Guo,* Wei Kang, and Qian Wang*
"First-Principles Study of the Structural, Electronic, and Enhanced Optical Properties of SnS/TaS2 Heterojunction"
ACS Applied Materials & Interfaces, 14, 1, 2177–2184 (2022)
2021
37）Ling Bai, Yu Qie, Yaguang Guo, C Zhang, S Yang, Q Li, Qiang Sun*
"Effect of grain boundaries on the work function of hafnium: A first-principles investigation"
Journal of Applied Physics 130 (15), 155103 (2021)
36) Wei Sun, Yiheng Shen, Yaguang Guo, Yanyan Chen, Qian Wang*
"1, 2, 4-Azadiphosphole-based piezoelectric penta-CNP sheet with high spontaneous polarization"
Applied Surface Science 554, 149499 (2021)
35) Dongyuan Ni, Yaguang Guo, Yiheng Shen, Qian Wang*
"A New Porous Metallic Carbon Allotrope with Interlocking Pentagons for Sodium‐Ion Battery Anode Material"
Advanced Theory and Simulations 4 (6), 2100025 (2021)
34) Dongyuan Ni, Wei Wu, Yaguang Guo, Sheng Gong, Qian Wang*
"Identifying key parameters for predicting materials with low defect generation efficiency by machine learning"
Computational Materials Science 191, 110306 (2021)
33) Wenyang Zhou, Yaguang Guo, Yiheng Shen, Qian Wang*, Puru Jena
"Imidazole-graphyne: a new 2D carbon nitride with a direct bandgap and strong IR refraction"
Physical Chemistry Chemical Physics 23 (17), 10274-10280 (2021)
Before 2021
32) Yaguang Guo, Cunzhi Zhang, Jian Zhou, Qian Wang*, and Puru Jena
“Lattice Dynamic and Instability in Penta-silicene: A Light Single-Element Ferroelectric Material with High Curie Temperature”Phys. Rev. Applied, 11, 064063, (2019)
31) Yaguang Guo, Huaiqiu Zhu*, and Qian Wang*
“Piezoelectric Effects in Surface-Engineered Two-Dimensional Group III Nitrides”
ACS Appl. Mater. Interfaces, 11, 1033-1039 (2019)
30) Yaguang Guo, Huaiqiu Zhu*, and Qian Wang*
“Large Second Harmonic Generation in Elemental α-Sb and α-Bi Monolayers”
J. Phys. Chem. C, 121, 5506-5513 (2020)
29) Yaguang Guo, Fancy Qian Wang, Qian Wang*
“An all-carbon vdW heterojunction composed of penta-graphene and graphene: Tuning the Schottky barrier by electrostatic gating or nitrogen doping”
Appl. Phys. Lett., 111, 073503 (2017)
28) Yaguang Guo, Wissam A. Saidi*, and Qian Wang*
“2D halide Perovskite-based van der Waals heterostructures: Contact evaluation and performance modulation”
2D Materials, 4, 035009 (2017)
27) Yaguang Guo, Qian Wang*, and Wissam A. Saidi*
“Structural Stabilities and Electronic Properties of High-Angle Grian Boundaries in Perovskite Cesium Lead Halides”
J. Phys. Chem. C, 121, 1715-1722 (2017)
26) Yaguang Guo, Shunhong Zhang, Tianshan Zhao and Qian Wang*
“Thermal exfoliation of stoichiometric single-layer silica from the stishovite phase: insight from first-principles calculations”
Nanoscale, 8, 10457-10858 (2016) (Cover paper)
25) Yaguang Guo, Qian Wang*, Y. Kawazoe, and P. Jena
“A New Silicon Phase with Direct Band Gap and Novel Optoelectronic Properties”
Sci. Rep., 5, 14342 (2015)
24) Yaguang Guo, Shunhong Zhang, and Qian Wang*
“Electronic and Optical Properties of Silicon based Porous sheets”
Phys. Chem. Chem. Phys., 16, 16832-16836 (2014)
23) Kexian Zhao, Yaguang Guo, Yiheng Shen, Qian Wang*, Y. Kawazoe, P. Jena
“Penta-BCN: A New Ternary Pentagonal Monolayer with Intrinsic Piezoelectricity”
J. Phys. Chem. Lett., 11 (9), 3501-3506 (2020)
22) Yiheng Shen, Yaguang Guo, Qian Wang*
“Large Out-of-Plane Second Harmonic Generation Susceptibility in Penta-ZnS2 Sheet”
Advanced Theory and Simulations, 2000027, (2020)
21) Arzoo Hassan, Yaguang Guo, Qian Wang*
“Performance of the Pentagonal PdSe2 Sheet as a Channel Material in Contact with Metal Surfaces and Graphene”
ACS Applied Electronic Materials 2 (8), 2535-2542 (2020)
20) Jie Sun, Jiabing Yu, Yaguang Guo, Qian Wang*
“Enhancing power factor of SnSe sheet with grain boundary by doping germanium or silicon”
NPJ Computational Materials, 6 (1), 1-6 (2020)
19) K Hussain, U Younis, M Imran, Y Qie, Yaguang Guo, Li Tingwei, H Xie, Q Sun*
“Three-dimensional porous borocarbonitride BC2N with negative Poisson’s ratio”
J. Mater. Chem. C, DOI: 10.1039/d0tc03832f
18) Yanyan Chen, Yupeng Shen, Yiheng Shen, Xiaoyin Li, Yaguang Guo, Qian Wang*
“Ground state structure and physical properties of silicon monoxide sheet”
Applied Surface Science, 146759 (2020)
17) Jie Sun, Yaguang Guo, Qian Wang*, Yoshiyuki Kawazoe
“Thermal transport properties of penta-graphene with grain boundaries”
Carbon, 145, 445-451 (2019)
16) Arzoo Hassan, Yaguang Guo, Qian Wang*, Yoshiyuki Kawazoe, and Puru Jena
“Interfacial properties of penta-graphene-metal contacts”
J. Appl. Phys. , 125, 065308 (2019)
15) Yiheng Shen, Jiabing Yu, Junyi Liu, Yaguang Guo, Yu Qie, and Qian Wang*
“PCF-Graphene: A 2D sp2 Hybridized Carbon Allotrope with a Direct Band Gap”
J. Phys. Chem. C, 123, 4567-4573 (2019)
14) Yu Chen, Junyi Liu, Jiabing Yu, Yaguang Guo, Qiang Sun*
“Symmetry-breaking induced large piezoelectricity in Janus tellurene materials”
Phys. Chem. Chem. Phys., 21. 1207-1216 (2019)
13) Wenyang Zhou, Yaguang Guo, Jie Liu, Fancy Wang, Xiaoyin Li, and Qian Wang*
“2D SnSe-based vdW heterojunctions: tuning the Schottky barrier by reducing Fermi level pinning”
Nanoscale , 10, 13767 (2018)
12) Jie Liu, Yaguang Guo, Fancy Qian Wang, and Qian Wang*
“TiS3 sheet based van der Waals heterostructures with a tunable Schottky barrier”
Nanoscale , 10, 807 (2018)
11) Kexian Zhao, Yaguang Guo, and Qian Wang*
“Contact properties of a vdW heterostructure composed of penta-graphene and penta-BN2 sheet”
J. Appl. Phys., 124, 165103 (2018)
10) Jinqian Cheng, Jiabing Yu, Yaguang Guo, Qiang Sun*
“Three-dimensional pentagonal silicon: Stability and properties”
Comp. Mater. Sci., 155, 373-377 (2018)
09) Xiaoyin Li, Shunhong Zhang, Yaguang Guo, Fancy Qian Wang and Qian Wang*
“Physical Properties and Photovoltaic Application of Semiconducting Pd2Se3 Monolayer”
Nanomaterials, 8, 832 (2018)
08) Sheng Gong, Shuo Wang, Junyi Liu, Yaguang Guo, Qian Wang*
“Graphdiyne as An Ideal Coating Material for Lithium-Ion Battery Cathodes: A First Principles Study”
J. Mater. Chem. A. , 6, 12630-12636 (2018)
07) Yupeng Shen , F. Wang , Jie Liu , Yaguang Guo, X. Li , G. Qin , Ming Hu and Qian Wang*
“A C20 fullerene-based sheet with ultrahigh thermal conductivity”
Nanoscale , 10, 6099-6104 (2018)
06) Fancy Qian Wang, Yaguang Guo, Qian Wang*, Y. Kawazoe, and P. Jena
“Exceptional thermoelectric properties of layered GeAs2”
Chem. Mater., 29, 9300-9307 (2017)
05) M. Hong, X. Zhou, J. Shi, Y. Qi, Z. Zhang, Q. Fang, Yaguang Guo, Y. Sun, Z. Liu, Y. Li, Q. Wang, Y. Zhang*
“Quasi-freestanding striped WS2 monolayer with an invariable band gap on Au(001)”
Nano Research, 10(11), 3875-388 (2017)
04) Jie Liu, Shunhong Zhang, Yaguang Guo, and Qian Wang*
“Phosphorus K4 Crystal: A New Stable Allotrope”
Sci. Rep., 6, 37528 (2016)
03) Tianshan Zhao, Shunhong Zhang, Yaguang Guo, and Qian Wang*
“TiC2: A New Two-Dimensional Sheet beyond MXenes”
Nanoscale, 8, 233-236 (2016) (Cover paper)
02) Xiaoyin Li, Shunhong Zhang, Fancy Q. Wang, Yaguang Guo, Jie Liu, and Qian Wang*
“Tuning the electronic and mechanical properties of penta-graphene by hydrogenation and fluorination”
Phys. Chem. Chem. Phys., 8, 14191-14197 (2016) (Cover paper)
01) Jie Liu, Yaguang Guo, Shunhong Zhang, Qian Wang*, Y. Kawazoe, and P. Jena
“New Phosphorene Allotropes Containing Ridges with 2- and 4-Coodination”
J. Phys. Chem. C., 119, 24674-24680 (2015)
北京大学优秀毕业生 2018
北京大学学术创新奖（两次） 2016 & 2017
北京大学优秀科研奖（两次） 2015 & 2017
计算材料科学与技术全国博士后论坛“优秀报告奖” 2020