Publications of Xiaojuan Hu

Journal Article (5)

2022
Journal Article
Hu, X., M.-O. Lenz and C. Baldauf: Better force fields start with better data: A data set of cation dipeptide interactions. Scientific Data 9, 327 (2022).
2021
Journal Article
Zhou, J., Z. Han, X. Wang, H. Gai, Z. Chen, T. Guo, X. Hou, L. Xu, X. Hu, M. Huang, S.V. Levchenko and H. Jiang: Discovery of Quantitative Electronic Structure-OER Activity Relationship in Metal-Organic Framework Electrocatalysts Using an Integrated Theoretical-Experimental Approach. Advanced Functional Materials 31 (33), 2102066 (2021).
2020
Journal Article
Amin, K.S., X. Hu, D.R. Salahub, C. Baldauf, C. Lim and S. Noskov: Benchmarking polarizable and non-polarizable force fields for Ca2+-peptides against a comprehensive QM dataset. The Journal of Chemical Physics 153 (14), 144102 (2020).
Journal Article
Li, M., Y. Luo, X. Hu, G. Cai, Z.-K. Han, Z. Du and J. Cui: Synergistic Regulation of Phonon and Electronic Properties to Improve the Thermoelectric Performance of Chalcogenide CuIn1−xGaxTe2:yInTe (x = 0–0.3) with In Situ Formed Nanoscale Phase InTe. Advanced Electronic Materials 6 (2), 1901141 (2020).
2019
Journal Article
Li, M., Y. Luo, X. Hu, Z.-K. Han, X. Liu and J. Cui: Co-regulation of the copper vacancy concentration and point defects leading to the enhanced thermoelectric performance of Cu3In5Te9-based chalcogenides. RSC Advances 9 (54), 31747–31752 (2019).

Working Paper (1)

2021
Working Paper
Zhong, Y., X. Hu, D. Sarker, Q. Xia, L. Xu, C. Yang, Z.-K. Han, S.V. Levchenko and J. Cui: Data analytics accelerates the experimental discovery of new thermoelectric materials with extremely high figure of merit., in press.
Go to Editor View