Xingxing Li
lixx@ustc.edu.cn
Education
2010-2015，Ph.D. in Chemistry, University of Science and Technology of China (USTC)
2006-2010，Bachelor's Degree in Chemistry, University of Science and Technology of China
Experience
2021-Present Junior Researcher, Hefei National Laboratory
2024-Present Professor, University of Science and Technology of China
2020-2023 Associate Professor, University of Science and Technology of China
2018-2020 Associate Researcher, University of Science and Technology of China
2015-2018 Postdoctoral, University of Science and Technology of China
Overview of Academic Research
Prof. Li’s research area is theoretical and computational chemistry. Aiming at the development of innovative information technology, Prof. Li has made systematic and in-depth first principles studies on low dimensional spintronics materials and molecular devices.
Representative research achievements in recent years include:
(1) A class of spintronics materials named bipolar magnetic semiconductors (BMSs) have been proposed and developed, in which carriers’ spin orientation can be controlled simply by applying a gate voltage, providing a new route to realize electrically controlled spintronic devices.
(2) A feasible strategy for designing magnetic semiconductors that can work at room temperature via tuning the spin state and orbital hybridization of molecular ligands has been put forward, and several practicable molecule-based magnetic semiconductors have been acquired.
(3) The mechanism on how the charge state of surrounding organic ions modulates the conductance of molecular devices has been revealed, based on which an efficient discrimination between amino acid’s different charge states has been realized.
Up to now, over 80 papers have been published in high quality journals such as Nature Nanotechnology, Nature Communications, Science Advances, Journal of the American Chemical Society, Angewandte Chemie International Edition, Physical Review Letters with a total citation number over 6000. These theoretical researches have attracted much attention from worldwide scientists, and have directly guided or promoted related experimental and theoretical studies.
Research Directions/Fields:
Theoretical design of spintronic materials
First principles simulation of molecular devices
Major Honors and Awards
2023 Chinese Chemical Society Prize for Young Scientists
2022 USTC Tang Scholar
2019 The membership of Youth Innovation Promotion Association
2017 Chinese Chemical Society Award on Outstanding Theoretical Chemistry PhD Dissertation
2016 Excellent Doctoral Dissertation of Chinese Academy of Sciences
Representative Publications
1.Sifan You,# Cuiju Yu,# Yixuan Gao, Xuechao Li, Guyue Peng, Kaifeng Niu, Jiahao Xi, Chaojie Xu, Shixuan Du, Xingxing Li,* Jinlong Yang, Lifeng Chi,* Quantifying the conductivity of a single polyene chain by liftin with an STM tip, Nature Communications 2024, 15, 6475.
2.Caiyao Yang,# Zhongxin Chen,# Cuiju Yu,# Jiawen Cao, Guojun Ke, Weiya Zhu, Weixuan Liang, Jiaxing Huang, Wanqing Cai, Chinmoy Saha, Md Abdus Sabuj, Neeraj Rai, Xingxing Li,* Jinlong Yang, Yuan Li,* Fei Huang,* Xuefeng Guo,* Regulation of quantum spin conversions in a single molecular radical, Nature Nanotechnology 2024, 19, 978.
3.Li, Xiangyang;# Liu, Qing-Bo;# Tang, Yongsen;# Li, Wei; Ding, Ning; Liu, Zhao; Fu, Hua-Hua; Dong, Shuai; Li, Xingxing;* Yang, Jinlong;* Quintuple function integration in two-dimensional Cr(II) five-membered heterocyclic metal organic frameworks via tuning ligand spin and lattice symmetry, Journal of the American Chemical Society 2023, 145, 7869.
4.Yujie Hu; Xingxing Li;* Qunxiang Li; Jinlong Yang; Bipolar magnetic molecules for spin‐polarized electric current in molecular junctions, Angewandte Chemie International Edition 2022, 61, e202205036.
5.Xingxing Li and Jinlong Yang,* Realizing two-dimensional magnetic semiconductors with enhanced Curie temperature by antiaromatic ring based organometallic frameworks Journal of the American Chemical Society 2019, 141, 109.
6.Shanshan Liu, Ke Xu,* Xingxing Li,* Qunxiang Li and Jinlong Yang, Obtaining giant Rashba-Dresselhaus spin splitting in two-dimensional chiral metal-organic frameworks, Chemical Science 2024, 15, 6916.
7.X. Li and J. Yang,* First-principles design of spintronics materials, National Science Review 2016，3, 365.
8.X. Li, X. Wu and J. Yang,* Half-metallicity in MnPSe3 exfoliated nanosheet with carrier doping, Journal of the American Chemical Society 2014, 136, 11065.
9.X. Li, X. Wu and J. Yang,* Room-temperature half-metallicity in La(Mn,Zn)AsO alloy via element substitutions, Journal of the American Chemical Society 2014, 136, 5664.
10.X. Li, Z. Li and J. Yang,* Proposed photosynthesis method for producing hydrogen from dissociated water molecules using incident near-infrared light, Physical Review Letters 2014, 112, 018301.