Prof. Dr. Kai-Xuan Chen

Profile

Academic positionAssociate Professor, Senior Lecturer, Reader
Research fieldsTheoretical Chemistry: Electron Structure, Dynamics, Simulation
Keywordstransition-metal carbodiimide, lithium ion batteries, conversion-reaction mechanism, first-principles, density functional theory

Current contact address

CountryPeople's Republic of China
CityGuangzhou
InstitutionSun Yat-Sen University
InstituteSchool of Chemistry and Chemical Engineering

Host during sponsorship

Prof. Dr. Richard DronskowskiInstitut für Anorganische Chemie (IAC), Rheinisch-Westfälische Technische Hochschule Aachen (RWTH), Aachen
Prof. Dr. Richard DronskowskiLehrstuhl für Festkörper- und Quantenchemie, Rheinisch-Westfälische Technische Hochschule Aachen (RWTH), Aachen
Start of initial sponsorship01/05/2018

Programme(s)

2017Humboldt Research Fellowship Programme for Postdocs

Publications (partial selection)

2020Kaixuan Chen, Marcus Fehse, Angelica Laurita, Jeethu Jiju Arayamparambil, Moulay Tahar Sougrati, Lorenzo Stievano, Richard Dronskowski: Quantum-Chemical Study of the FeNCN Conversion-Reaction Mechanism in Lithium- and Sodium-Ion Batteries. In: Angewandte Chemie International Edition, 2020, 3718-3723
2020Jeethu Jiju Arayamparambil, Kaixuan Chen, Antonella Iadecola, Markus Mann, Xianji Qiao, Bernard Fraisse, Richard Dronskowski, Lorenzo Stievano, Moulay Tahar Sougrati: Reversible High Capacity and Reaction Mechanism of Cr2(NCN)3 Negative Electrodes for Li?Ion Batteries. In: Energy Technology, 2020, 1901260
2019Kaixuan Chen, Richard Dronskowski: First-Principles Study of Divalent 3d Transition-Metal Carbodiimides. In: The Journal of Physical Chemistry A, 2019, 9328-9335