张珉 教授 博士 研究领域: 新材料,石油炼制,石油化工,精细化工 研究方向: 理论与计算化学,应用量子化学 所在单位: 东北师范大学

基本信息

所在单位:
东北师范大学
单位类型:
高等院校
职称:
教授
最高学历:
博士
教育经历:
1995/09-1999/07,东北师范大学,化学系,学士
2001/09-2006/06,东北师范大学,化学学院,博士
工作经历:
1999/07-2001/08,东北农业大学,化学系,助教
2005/01-2005/02,香港大学,化学系,研究助理
2005/12-2014/05,东北师范大学,化学学院,讲师
2008/04-2011/02,丹麦奥胡斯大学,交叉纳米科学(iNANO)中心,博士后
2014/06-2021/05,东北师范大学,化学学院,副教授
2021/06-现在, 东北师范大学,化学学院,教授
专家介绍:
从元素差异、化学键连及电子结构等视角出发:(1)寻找、理解非经典成键或配位结构;(2)构建、遴选活性中心发掘电(光)催化材料。累计以第一作者或通讯作者发表SCI论文50余篇,包括:Adv. Sci., Appl. Catal. B: Environ., Chem. Sci., J. Mater. Chem. A, ACS Appl. Mater. Interfaces等,同时高被引论文及热点论文多篇。

  主要代表性学术贡献包括:a. 统一价键理论和分子轨道理论在C2分子四重键上的争议; b. 扩展Be-Be元素间化学成键至双键、三键和中性单电子键; c. 多种多价态的稳定平面多配位键连及功能化;d. 二维材料遴选和功能化应用。

科研能力

研究领域:
新材料,石油炼制,石油化工,精细化工
研究方向:
理论与计算化学,应用量子化学
英文标签:
Density Functional Theory;Photocatalysis;DFT;Density Functional Theory (dft);Aggregation-induced Emission;Charge Transfer;Electrocatalysis;Single-atom Catalysts;Molecular Dynamics;Electronic Structure
论文著作:
1. Why Silicon Nanotubes Stably Exist in Armchair Structure?
M Zhang; YH Kan; OJ Zang; ZM Su; RS Wang
CHEMICAL PHYSICS LETTERS, 2003

2. Recent Advances in Surface-Modified G-C<sub>3</sub>n<sub>4</sub>-based Photocatalysts for H<sub>2</sub> Production and CO<sub>2</sub> Reduction
Yunfeng Li; Min Zhang; Liang Zhou; Sijia Yang; Zhansheng Wu; Yuhua Ma
Acta Physico-Chimica Sinica, 2020

3. Preparation of Novel 0D/2D Ag2WO4/WO3 Step-scheme Heterojunction with Effective Interfacial Charges Transfer for Photocatalytic Contaminants Degradation and Mechanism Insight
Liang Zhou; Yunfeng Li; Sijia Yang; Min Zhang; Zhansheng Wu; Renxi Jin; Yan Xing
Chemical Engineering Journal, 2021

4. Modulation on Charge Recombination and Light Harvesting Toward High-Performance Benzothiadiazole-Based Sensitizers in Dye-Sensitized Solar Cells: A Theoretical Investigation
Jian-Zhao Zhang; Ji Zhang; Hai-Bin Li; Yong Wu; Hong-Liang Xu; Min Zhang; Yun Geng; Zhong-Min Su
Journal of Power Sources, 2014

5. Theoretical Interpretation of Different Nanotube Morphologies among Group III (B, Al, Ga) Nitrides
M Zhang; ZM Su; LK Yan; YQ Qiu; GH Chen; RS Wang
Chemical Physics Letters, 2005

6. Point Defects in Two-Dimensional Hexagonal Boron Nitride: A Perspective
Jijun Zhang; Rong Sun; Dongliang Ruan; Min Zhang; Yanxi Li; Kai Zhang; Faliang Cheng; Zhongchang Wang; Zhi-Ming Wang
JOURNAL OF APPLIED PHYSICS, 2020

7. A Highly Energetic N‐Rich Zeolite‐Like Metal‐Organic Framework with Excellent Air Stability and Insensitivity
Jun-Sheng Qin; Ji-Chuan Zhang; Min Zhang; Dong-Ying Du; Jing Li; Zhong-Min Su; Yuan-Yuan Wang; Si-Ping Pang; Sheng-Hua Li; Ya-Qian Lan
ADVANCED SCIENCE, 2015

8. Electronic Properties and Stability of Dititanium(iv) Substituted Alpha-Keggin Polyoxotungstate with Heteroatom Phosphorus by DFT.
W Guan; LK Yan; ZM Su; SX Liu; M Zhang; XH Wang
ChemInform, 2005

9. A Two-Dimensional Conductive Mo-based Covalent Organic Framework As an Efficient Electrocatalyst for Nitrogen Fixation
Cong Wang; Ying-Nan Zhao; Chang-Yan Zhu; Min Zhang; Yun Geng; Yang-Guang Li; Zhong-Min Su
Journal of Materials Chemistry A, 2020

10. Two-Dimensional Cobaltporphyrin-based Cobalt–Organic Framework As an Efficient Photocatalyst for CO2 Reduction Reaction: A Computational Study
Cong Wang; Xing-Man Liu; Min Zhang; Yun Geng; Liang Zhao; Yang-Guang Li; Zhong-Min Su
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2019
科研项目:
1. 硅纳米管及化学修饰和缺陷结构电子输运性能的密度泛函研究
立项时间: 2013-2015 项目经费:220000

2. 基于多组态自洽场方法的自旋极化化学键研究及应用
立项时间: 2017-2020 项目经费:650000
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