J. He, T. Frauenheim, and S. Li. Ultrafast Chiral Precession of Spin and Orbital Angular Momentum Induced by Circularly Polarized Laser Pulse in Elementary Ferromagnets. The Journal of Physical Chemistry Letters, American Chemical Society (ACS), volume 15, issue 9, February 2024.

J. He, S. Li, and T. Fruenheim. Ultrafast chiral precession of spin and orbital angular momentum induced by circularly polarized laser pulse. arXiv, 2024.

J. He, S. Li, T. Frauenheim, and Z. Zhou. Ultrafast Laser Pulse Induced Transient Ferrimagnetic State and Spin Relaxation Dynamics in Two-Dimensional Antiferromagnets. Nano Letters, American Chemical Society (ACS), volume 23, issue 17, August 2023.

S. Li, T. Frauenheim, and J. He. Quantum anomalous valley Hall effect in ferromagnetic MXenes with asymmetric functionalization. Nanoscale, Royal Society of Chemistry (RSC), volume 15, issue 42, 2023.

J. He, S. Li, T. Frauenheim, and Z. Zhou. Ultrafast Laser Pulse Induced Transient Ferrimagnetic State and Spin Relaxation Dynamics in Two-Dimensional Antiferromagnets. Nano Letters, volume 23, issue 17, 2023.

S. Li, L. Zhou, T. Frauenheim, and J. He. Light-Controlled Ultrafast Magnetic State Transition in Antiferromagnetic–Ferromagnetic van der Waals Heterostructures. The Journal of Physical Chemistry Letters, volume 13, issue 26, 2022.

J. He, S. Li, L. Zhou, and T. Frauenheim. Ultrafast Light-Induced Ferromagnetic State in Transition Metal Dichalcogenides Monolayers. The Journal of Physical Chemistry Letters, volume 13, issue 12, 2022.

J. He, S. Li, A. Bandyopadhyay, and T. Frauenheim. Unravelling Photoinduced Interlayer Spin Transfer Dynamics in Two-Dimensional Nonmagnetic-Ferromagnetic van der Waals Heterostructures. Nano Letters, American Chemical Society (ACS), volume 21, issue 7, March 2021.

D. Li, S. Li, C. Zhong, and J. He. Tuning magnetism at the two-dimensional limit: a theoretical perspective. Nanoscale, The Royal Society of Chemistry, volume 13, 2021.

S. Li, J. He, L. Grajciar, and P. Nachtigall. Intrinsic valley polarization in 2D magnetic {MXenes}: surface engineering induced spin-valley coupling. Royal Society of Chemistry (RSC), volume 9, issue 34, 2021.

S. Li, J. He, P. Nachtigall, L. Grajciar, and F. Brivio. Doping isolated one-dimensional antiferromagnetic semiconductor vanadium tetrasulfide ({VS}4) nanowires with carriers induces half-metallicity. Royal Society of Chemistry (RSC), volume 9, issue 9, 2021.

S. Li, J. He, P. Nachtigall, L. Grajciar, and F. Brivio. Doping isolated one-dimensional antiferromagnetic semiconductor vanadium tetrasulfide ({VS}4) nanowires with carriers induces half-metallicity. Journal of Materials Chemistry C, Royal Society of Chemistry (RSC), volume 9, issue 9, 2021.

S. Li, J. He, L. Grajciar, and P. Nachtigall. Intrinsic Valley Polarization in 2D Magnetic MXenes: Surface Engineering Induced Spin-valley Coupling. J. Mater. Chem. C, The Royal Society of Chemistry, 2021.

Z. Lu, Y. Cheng, S. Li, Z. Yang, and R. Wu. {CO}2 thermoreduction to methanol on the {MoS}2 supported single Co atom catalyst: A {DFT} study. Applied Surface Science, Elsevier BV, volume 528, October 2020.

P. Xiao, S. Li, C. Yu, Y. Wang, and Y. Xu. Interface Engineering between the Metal{\textendash}Organic Framework Nanocrystal and Graphene toward Ultrahigh Potassium-Ion Storage Performance. ACS Nano, American Chemical Society (ACS), volume 14, issue 8, July 2020.

C. He, R. Wang, D. Xiang, X. Li, L. Fu, Z. Jian, J. Huo, and S. Li. Charge-regulated {CO}2 capture capacity of metal atom embedded graphyne: A first-principles study. Applied Surface Science, Elsevier BV, volume 509, April 2020.

C. He, R. Wang, H. Yang, S. Li, and L. Fu. The growth pattern of Ptn (n=1-6) clusters on pentagonal B2C monolayer support: A computational study. Applied Surface Science, volume 507, 2020.

K. Li, X. Wang, S. Li, P. Urbankowski, J. Li, Y. Xu, and Y. Gogotsi. An Ultrafast Conducting Polymer@{MXene} Positive Electrode with High Volumetric Capacitance for Advanced Asymmetric Supercapacitors. Small, Wiley, volume 16, issue 4, December 2019.

G. Ding, S. Li, and J. He. Origins of promising thermoelectric performance in quaternary selenide {BaAg}2SnSe4. Applied Physics Express, IOP Publishing, volume 12, issue 7, June 2019.

J. He, G. Ding, C. Zhong, S. Li, D. Li, and G. Zhang. Remarkably enhanced ferromagnetism in a super-exchange governed Cr2Ge2Te6 monolayer via molecular adsorption. J. Mater. Chem. C, The Royal Society of Chemistry, volume 7, 2019.

S. Li, J. He, P. Nachtigall, L. Grajciar, and F. Brivio. Control of spintronic and electronic properties of bimetallic and vacancy-ordered vanadium carbide {MXenes} via surface functionalization. Physical Chemistry Chemical Physics, Royal Society of Chemistry (RSC), volume 21, issue 46, 2019.

Z. Chen, S. Li, Y. Zhao, M. F. A. Aboud, I. Shakir, and Y. Xu. Ultrafine {FeS}2 nanocrystals/porous nitrogen-doped carbon hybrid nanospheres encapsulated in three-dimensional graphene for simultaneous efficient lithium and sodium ion storage. Journal of Materials Chemistry A, Royal Society of Chemistry (RSC), volume 7, issue 46, 2019.