Computational Materials Science Group
Ideal strength and phonon instability in single-layer MoS2
Tianshu Li
Ice nucleation at the nanoscale probes no man’s land of water
Tianshu Li, Davide Donadio, and Giulia Galli
Nature Communications 4, 1887 (2013)
Band offsets and dielectric properties of the amorphous Si3N4/Si(100) interface: a first-principles study
Tuan Anh Pham, Tianshu Li, Huy-Viet Nguyen, Sadasivan Shankar, Francois Gygi and Giulia Galli
Probing methane hydrate nucleation through the forward flux sampling method
Yuanfei Bi and Tianshu Li
Journal of Physical Chemistry B 118, 13324 (2014)
Reply to “Comment on ‘Ideal strength and phonon instability in single-layer MoS2’ ”
Tianshu Li
Interlayer Electronic Coupling in Arbitrarily Stacked MoS2 Bilayers Controlled by Interlayer S-S Interaction
Boxiao Cao and Tianshu Li
Ice nucleation on carbon surface supports the classical theory for heterogeneous nucleation
Raffaela Cabriolu and Tianshu Li
Tailored nanoheterojunction for optimized light emission
Tianshu Li, Francois Gygi, and Giulia Galli
Pressure-Modulated Conductivity, Carrier Density, and Mobility of Multilayered Tungsten Disulfide
Avinash P. Nayak, Zhen Yuan, Boxiao Cao, Jin Liu, Junjie Wu, Samuel T. Moran, Tianshu Li, Deji Akinwande, Chang-Qing Jin, and Jung-Fu Lin
Heterogeneous Ice Nucleation Controlled by the Coupling of Surface Crystallinity and
Surface Hydrophilicity
Yuanfei Bi, Raffaela Cabriolu, and Tianshu Li
Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite
Gabriele Cesare Sosso, Tianshu Li, Davide Donadio, Gareth A. Tribello, and Angelos Michaelides
Free energy landscape and molecular pathways of gas hydrate nucleation
Yuanfei Bi, Anna Porras, and Tianshu Li
Homogeneous ice nucleation from supercooled water
Tianshu Li, Davide Donadio, Giovanna Russo, and Giulia Galli
Microscopic modeling of dielectric properties of silicon nitride
Pham T.A., Tianshu Li, Sadasivan Shankar, Francois Gygi, and Giulia Galli
Spreading of dislocation cores in elastically anisotropic body-centered-cubic materials: The case of gum metal
D.C. Chrzan, M.P. Sherburne, Y. Hanlumyuang, Tianshu Li, and J.W. Morris, Jr.
Emerging photoluminescence in monolayer MoS2
Andrea Splendiani, Liang Sun, Yuanbo Zhang, Tianshu Li, and Jonghwan Kim, Chi-Ying Chim, Giulia Galli, and Feng Wang
First-principles investigations of the dielectric properties of Si3N4 crystalline and amorphous thin films
Pham T.A., Tianshu Li, Sadasivan Shankar, Francois Gygi, and Giulia Galli
Nucleation of tetrahedral solids: A molecular dynamics study of supercooled liquid silicon
Tianshu Li, Davide Donadio, and Giulia Galli
Surface induced crystallization in supercooled tetrahedral liquids
Tianshu Li, Davide Donadio, Luca Ghiringhelli, and Giulia Galli
Electronic properties of MoS2 nanoparticles
Tianshu Li and Giulia Galli
“Ideal” engineering alloys
Tianshu Li, J.W. Morris, Jr., and D.C. Chrzan
Physical Review Letters 98, 105503 (2007)
Highlighted in Science
Ab initio study on the ideal shear strength and elastic deformation behaviors in B2 FeAl and NiAl
Tianshu Li, J.W. Morris, Jr., and D.C. Chrzan
Ideal tensile strength in B2 transitional-metal aluminides
Tianshu Li, J.W. Morris, Jr., and D.C. Chrzan
Microstructure and nanoindentation hardness of Ti/TiN multilayered films
Tianshu Li, H. Li, and F. Pan
