1. XY Lu, YX Hu, HP Liu, JN Qi, XS Chen, YJ Sun*, WP Hu* Hu Excited State Properties of Aggregation-Induced Delayed Fluorescence Molecules: A Microscopic Insight,Adv. Opt. Mater., 2022, doi.org/10.1002/adom.202201075.
2.YJ Sun, WP Hu* Novel machine learning framework for thermal conductivity prediction by crystal graph convolution embedded ensemble,SmartMat.2021, DOI 10.1002/smm2.107.
3. XY Lu,YJ Sun*, WP Hu* The external electric field effect on the charge transport performance of organic semiconductors: a theoretical investigation,J. Mater. Chem. A, 2021, 9, 21044-21050.
4. XY Lu,YJ Sun*; ZC Zhang; ZG Shuai, WP Hu*, Simultaneous studies of pressure effect on charge transport and photophysical properties in organic semiconductors: A theoretical investigation,Chin. Chem. Lett., 2021, 32, 3, 1233-1236.
5.YJ Sun, H Geng, Q Peng, ZG Shuai*, Computational Study on the Charge Transport and Optical Spectra of Anthracene Derivatives in Aggregates,ChemPhysChem, 2020, 21, 9, 952-957.
6.YJ Sun, ZG Shuai , and D Wang*, Reducing Lattice Thermal Conductivity of the Thermoelectric SnSe Monolayer: Role of Phonon–Electron Coupling，J. Phys. Chem. C, 2019, 123.
7. YJ Sun, ZG Shuai, D Wang*, Janus monolayer of WSeTe, a new structural phase transition material driven by electrostatic gating. Nanoscale,2018,10, 21629.
8.YJ Sun, ZG Shuai, D Wang*, Lattice thermal conductivity of monolayer AsP from first-principles molecular dynamics, Phys. Chem. Chem. Phys, 2018, 20, 14024.
9.YJ Sun, D Wang* and ZG huai, Puckered Arsenene: A Promising Room-Temperature Thermoelectric Material from First-Principles Prediction. J. Phys. Chem. C, 2017, 121, 35.
10. TQ Zhao1,YJ Sun1, ZG Shuai, and D Wang*, GeAs2: A IV–V Group Two-Dimensional Semiconductor with Ultralow Thermal Conductivity and High Thermoelectric Efficiency. Chem. Mater, 2017, 29.
11.YJ Sun, D Wang*, and ZG Shuai*, Indirect-to-Direct Band Gap Crossover in Few-Layer Transition Metal Dichalcogenides: A Theoretical Prediction.” J. Phys. Chem. C, 2016, 120.
12. MH Li1,YJ Sun1, X Xue, XY Lu, ZL Guo, YD Han, JC Dong, DC Geng, L Li*, and WS Yang, Growth and Etching of Centimeter-Scale Self-Assembly Graphene？h-BN Super-Ordered Arrays: Implications for Integrated Electronic Devices, ACS Appl. Nano Mater. 2022, 5, 774？781.
13. YX Hu, L Yu, YN Huang, ZW Wang, SG Wang, XS Chen, DY Ji, HL Dong, J Li*,YJ Sun*, LQ Li*, WP Hu. Thermally-enhanced photo-electric response of an organic semiconductor with low exciton binding energy for simultaneous and distinguishable detection of light and temperature, Sci. China. Chem. 2021, DOI 10.1007/s11426-021-1118-9.
14. WG Zhu1,YJ Sun1, J Liu, SM Bai, ZC Zhang, Q Shi, WP Hu*, HB Fu*. Exciton Transport in Molecular Semiconductor Crystals for Spin-Optoelectronics Paradigm,Chem. Eur. J.2020, 27, 1, 222-227.
