Zhangxin头像

Zhangxin

Professor PhD

Department College of Chemistry

Fields:

Emails: 2011500082@buct.edu.cn

Office:

ORCID: 0000-0003-3559-2096

DBLP:

10 Visits

Introduction

Zhang Xin, female, professor, Ph.D.supervisor, and Deputy Dean of the College of Chemistry. Received a Ph.D. in Science from Xiamen University in 2009, and conducted postdoctoral research at Beijing Normal University from 2009 to 2011.Since 2011, I have been teaching at the School of Chemistry, Beijing University of Chemical Technology. I have been engaged in teaching physical chemistry for undergraduate students for many years, completing 112 teaching hours per year, and achieving excellent results in comprehensive teaching quality certification.Selected for the 'Yangtze River Scholar Incentive Program' for Young Scholars by the Ministry of Education in 2023, and awarded the 'Young Teaching Master Award' by the Beijing Municipal Higher Education Institutions in 2021.Research focus on theoretical and computational catalysis chemistry and data-driven catalyst design. I have published over 100 SCI-indexed papers in renowned academic journals such as Nat. Commun., PNAS, etc. I have led three projects funded by the National Natural Science Foundation of China, and participated as a key member in three projects under the National Key R&D Program and key projects of Sinopec Group.I have served as a thesis review expert for the Ministry of Education's Degree Center and a science popularization expert for the China Association for Science and Technology.


Education

Work Experience

Social Position

Social Activities

Research

(1) Simulation and design of functional materials

Multi-scale combination methods such as quantum chemistry, molecular dynamics and QM/MM were used to study the topological structure, size effect, surface adsorption, reaction mechanism and ion migration of functional materials, explore the key factors that determine the activity and selectivity of materials, and design catalytic materials with potential industrial catalytic significance.

(2) Machine learning methods predict material properties

Active learning, deep learning, big data analysis and other methods are used to study the stability, energy band structure and surface reaction performance of materials, explore the machine learning model architecture and training methods suitable for chemical reactions, establish the structure-performance relationship of materials, and realize the accelerated development and high-throughput screening of new materials.


Teaching

For more than a decade, I have steadfastly upheld a teaching philosophy centered on “based on undergraduate education, four returns”. During this time, I have served as the primary instructor for national-level outstanding undergraduate courses in “Physical Chemistry” and “Computational Chemistry”. These courses are designed for sophomore and junior undergraduate students specializing in Chemistry Excellence Program, Chemistry, Applied Chemistry, and Energy Chemistry. Over the past three years, I have consistently dedicated an annual average of 112 teaching hours, collectively benefiting over 800 undergraduate students. The comprehensive assessment of teaching quality consistently rates my performance as “excellent”. Many of our graduates have gone on to achieve outstanding success in universities, research institutions, and state-owned enterprises. They have emerged as key contributors, actively fulfilling their roles and responsibilities in advancing science and technology for the betterment of our nation”.

Postgraduates

Funding

Vertical Project

Horizontal Project

Publications

1. Wei Liu, Haisong Feng, Yusen Yang*, Yiming Niu, Lei Wang, Pan Yin, Song Hong, Bingsen Zhang, Xin Zhang*, Min We.* Highly-efficient RuNi single-atom alloy catalysts toward chemoselective hydrogenation of nitroarenes. Nat. Commun. 2022, 13, 3188.

2. Xi Zhang,Guoqing Cui, Haisong Feng, Lifang Chen,Hui Wang,Bin Wang,Xin Zhang,*Lirong Zheng,*Song Hong,* Min Wei.* Platinum-copper Single Atom Alloy Catalysts with High Performance towards Glycerol Hydrogenolysis. Nat. Commun. 2019, 10, 5812.

3. Xin He, Bo Yan, Xin Zhang,* Zigeng Liu, Dominic Bresser, Jun Wang, Rui Wang, Xia Cao, Yixi Su, Hao Jia, Clare P. Grey, Henrich Frielinghaus, Donald G. Truhlar, Martin Winter, Jie Li,* Elie Paillard.* Fluorine-free Water-in-ionomer Electrolytes for Sustainable Lithium-ion Batteries.Nat. Commun. 2018, 9, 5320.

4. Bao Junwei Lucas, Xin Zhang,* and Donald G. Truhlar.* Barrierless Association of CF2 and Dissociation of C2F4 by Variational Transition State Theory and System-specific Quantum RRK Theory.P. Natl. Acad. Sci. USA 2016, 113(48), 13606-13611.

5. Lifang Chen, Jingyun Ye, Yusen Yang, Pan Yin, Haisong Feng, Chunyuan Chen, Xin Zhang,* Min Wei,* Donald G. Truhlar.* Catalytic Conversion Furfuryl Alcohol to Tetrahydrofurfuryl Alcohol and 2Methylfuran at Terrace, Step, and Corner Sites on Ni. ACS Catal. 2020, 10, 72407249.

6. Xiaoyu Meng, Yusen Yang, Lifang Chen, Ming Xu, Xin Zhang,* Min Wei.* A Control over Hydrogenation Selectivity of Furfural via Tuning Exposed Facet of Ni Catalysts.ACS Catal. 2019, 9, 4226-4235.

7. Zhen Ren, Yusen Yang*, Si Wang, Xiaolin Li, Haisong Feng, Lei Wang, Yanmeng Li, Xin Zhang*, Min Wei.* Pt Atomic Clusters Catalysts with Local Charge Transfer Towards Selective Oxidation of Furfural. Appl. Catal. B, Environ., 2021, 295, 120290.

8. Haisong Feng, Hu Ding, Peinan He, Si Wang, Zeyang Li, Zikang Zheng, Yusen Yang*, Min Wei, and Xin Zhang*. Data-Driven Design of Dual-Metal-Site Catalysts for Electrochemical Carbon Dioxide Reduction Reaction. J. Mater. Chem. A 2022, 10, 18803–18811.

9. Haisong Feng, Hu Ding, Si Wang, Yujie Liang, Yuan Deng, Yusen Yang,* Min Wei, and Xin Zhang.* Machine-Learning-Assisted Catalytic Performance Predictions of Single-Atom Alloys for Acetylene Semihydrogenation. ACS Appl. Mater. Interfaces 2022, 14, 25288−25296.

10. Haisong Feng, Meng Zhang, Zhen Ge, Yuan Deng, Pengxin Pu, Wenyu Zhou, Hao Yuan, Jing Yang*, Feng Li, Xin Zhang*, and Yong-Wei Zhang*Designing Efficient Single-Atom Alloy Catalysts for Selective CO Hydrogenation: A First-Principles, Active Learning and Microkinetic StudyHaisong Feng, Meng Zhang, Zhen Ge, Yuan Deng, Pengxin Pu, Wenyu Zhou, Hao Yuan, Jing Yang*, Feng Li, Xin Zhang*, and Yong-Wei Zhang*  ACS Appl. Mater. Interfaces 2023, 15, 48, 55903–55915.




Awards

Name of awarded   project

Award category   (grade)

Grantor

Time of granting

“Yangtze   River Scholar Incentive Program” for Young Scholars

National-Level

Ministry   of Education of the People’s Republic of China

2023(year)

Beijing   Higher Education “Young Teaching Master Award”

Provincial-Ministerial   Level

Beijing   Municipal Education Commission

2021(year)


patent

Honor Reward

Admissions Information