Publications

See Google scholar Profile for full publications and citations.

• Enabling type I lattice-matched heterostructures in SiGeSn alloys through engineering composition and short-range order: A first-principle perspective, Xiaochen Jin, Shunda Chen, and Tianshu Li, IEEE Journal of Selected Topics in Quantum Electronics, (2024)
• Intricate short-range order in GeSn alloys revealed by atomistic simulations with highly accurate and efficient machine-learning potentials, Shunda Chen, Xiaochen Jin, Wanyu Zhao, and Tianshu Li, Physical Review Materials 8, 043805 (2024)
• Group IV topological quantum alloys and the role of short-range order: the case of Ge-rich Ge_{1-x}Pb_{x}, Yunfan Liang, Shunda Chen, Xiaochen Jin, Damien West, Shui-Qing Yu, Tianshu Li, and Shengbai Zhang, npj Computational Materials 10, 82 (2024)
• A Comprehensive Study on Combined Organic Fouling and Gypsum Scaling in Reverse Osmosis: Decoupling Surface and Bulk Phenomena, Shinyun Park, Mayca Saavedra, Xitong Liu, Tianshu Li, Bridget Anger, and Tiezheng Tong, Journal of Membrane Science, (2023)
• Role of local atomic short-range order distribution in alloys: Why it matters in Si-Ge-Sn alloys, Xiaochen Jin, Shunda Chen, Christopher Lemkan, and Tianshu Li, Physical Review Materials (Letter) 7, L111601 (2023)
• Molecular simulations reveal that heterogeneous ice nucleation occurs at higher temperatures in water under capillary tension, Elise Rosky, Will Cantrell, Tianshu Li, Issei Nakamura, and Raymond Shaw, Atmospheric Chemistry and Physics 23, 10625-10642, (2023)
• Local alloy order in a Ge-Sn/Ge epitaxial layer, Agnieszka Anna Corley-Wiciak, Shunda Chen, Omar Concepción, Marvin Hartwig Zoellner, Detlev Grützmacher, Dan Buca, Tianshu Li, Giovanni Capellini, and Davide Spirito, Physical Review Applied 20, 024021 (2023)
• A Tale of Two Foulants: The Coupling of Organic Fouling and Mineral Scaling in Membrane Desalination, Tiezheng Tong, Xitong Liu, Tianshu Li, Shinyun Park, and Bridget Anger, Environmental Science & Technology 57, 7129 (2023)
• On the challenge of sampling multiple nucleation pathways: A case study of heterogeneous ice nucleation on FCC (211) surface, Wanyu Zhao and Tianshu Li, Journal of Chemical Physics 158, 124501 (2023)
• Which surface is more scaling resistant? A closer look at nucleation theories for heterogeneous gypsum nucleation in aqueous solutions, Yiming Yin, Tianshu Li, Kuichang Zuo, Xitong Liu, Shihong Lin, Yiqun Yao, and Tiezheng Tong, Environmental Science & Technology 56, 16315 (2022)

• Heterogeneous Ice Nucleation Studied with Single-Layer Graphene, Cory Cline, Haozhe Wang, Jing Kong, Tianshu Li, Jifeng Liu, and Ulrike Wegst, Langmuir 38, 15121 (2022)
• Coexistence of two types of short-range order in Si-Ge-Sn medium-entropy alloys, Xiaochen Jin, Shunda Chen, and Tianshu Li, Communications Materials 3, 66 (2022)
• Homogeneous ice nucleation rate at negative pressures: The role of the density anomaly, Elise Rosky, Will Cantrell, Tianshu Li, and Raymond Shaw, Chemical Physics Letters 789, 139289 (2022)
• Short-range order in SiSn alloy enriched by second-nearest-neighbor repulsion, Xiaochen Jin, Shunda Chen, and Tianshu Li, Physical Review Materials 5, 104606 (2021)
• Mechanical instability of methane hydrate-mineral interface systems, Pinqiang Cao, Tianshu Li, Fulong Ning, Jianyang Wu, ACS Applied Materials & Interfaces 13, 46043 (2021)
• Short-range order in GeSn alloy, Boxiao Cao, Shunda Chen, Xiaochen Jin, and Tianshu Li, ACS Applied Materials & Interfaces 2020, 12, 57245

• Mechanical Response of Nanocrystalline Ice-Contained Methane Hydrates: Key Role of Water Ice, Pinqiang Cao, Fulong Ning, Jianyang Wu, Boxiao Cao, Tianshu Li, Henrik Andersen Sveinsson, Zhichao Liu, Thijs J. H. Vlugt, and Masayuki Hyodo, ACS Applied Materials & Interfaces 2020, 12, 14016
• Anomalous Stability of Two-Dimensional Ice Confined in Hydrophobic Nanopore, Boxiao Cao, Enshi Xu, and Tianshu Li, ACS Nano, 2019, 13, 4712

• Crystallization of water mediated by carbon, Tianshu Li, Yuanfei Bi, and Boxiao Cao, AGU Monograph on Physics and Chemistry of Deep Carbon, 2020
• Effect of hydrophilic silica nanoparticles on hydrate formation: Insight from the experimental study, Ren Wang, Tianle Liu, Fulong Ning, Wenjia Ou, Ling Zhang, Zhen Wang, Li Peng, Jiaxin Sun, Zhichao Liu, Tianshu Li, Huicui Sun, and Guosheng Jiang, Journal of Energy Chemistry 30, 90 (2019)
• Mechanical properties of bi- and poly-crystalline ice, Pinqiang Cao, Jianyang Wu, Zhisen Zhang, Bin Fang, Li Peng, Tianshu Li, Thijs J.H. Vlugt, and Fulong Ning, AIP Advances 8, 125108 (2018)
• Formation of inclusion type silicon phases induced by inert gases, Yuanfei Bi, Enshi Xu, Timothy A. Strobel, and Tianshu Li, Communications Chemistry 1, 15 (2018)

• Semiconducting Cubic Titanium Nitride in the Th3P4 Structure, Venkata S. Bhadram, Hanyu Liu, Enshi Xu, Tianshu Li, Vitali B. Prakapenka, Rostislav Hrubiak, Stephan Lany, and Timothy A. Strobel, Physical Review Materials 2, 011602(R) (2018)
• Enhanced heterogeneous ice nucleation by special surface geometry, Yuanfei Bi, Boxiao Cao, and Tianshu Li, Nature Communications, 8, 15372 (2017)

                                GWU News Release

                 trajectory_45_degree_side_view_mpg-1gh2l5q

• Free energy landscape and molecular pathways of gas hydrate nucleation, Yuanfei Bi, Anna Porras, and Tianshu Li, Journal of Chemical Physics 145, 211909 (2016)

• 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, Journal of Physical Chemistry Letters 7, 2350 (2016)

• Heterogeneous Ice Nucleation Controlled by the Coupling of Surface Crystallinity and Surface Hydrophilicity, Yuanfei Bi, Raffaela Cabriolu, and Tianshu Li, Journal of Physical Chemistry C 120, 1507  (2016)

• 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, ACS Nano 9, 9117 (2015)

• 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, Applied Physics Letters 102, 241693 (2013)

                        

• Ice nucleation at the nanoscale probes no man’s land of water, Tianshu Li, Davide Donadio, and Giulia Galli, Nature Communications 4, 1887 (2013)

• Homogeneous ice nucleation from supercooled water, Tianshu Li, Davide Donadio, Giovanna Russo, and Giulia Galli, Physical Chemistry Chemical Physics 13, 19807 (2011)

• Microscopic modeling of dielectric properties of silicon nitride, Pham T.A., Tianshu Li, Sadasivan Shankar, Francois Gygi, and Giulia Galli, Physical Review B 84, 045308 (2011)

• 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., Physical Review B 82, 184202 (2010)

• Emerging photoluminescence in monolayer MoS2, Andrea Splendiani, Liang Sun, Yuanbo Zhang, Tianshu Li, and Jonghwan Kim, Chi-Ying Chim, Giulia Galli, and Feng Wang, Nano Letters 10, 1271 (2010)

• 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, Applied Physics Letters 96, 062902 (2010)

• Nucleation of tetrahedral solids: A molecular dynamics study of supercooled liquid silicon, Tianshu Li, Davide Donadio, and Giulia Galli, Journal of Chemical Physics 131, 224519 (2009)

• Surface induced crystallization in supercooled tetrahedral liquids, Tianshu Li, Davide Donadio, Luca Ghiringhelli, and Giulia Galli, Nature Materials 8, 726 (2009)

• Electronic properties of MoS2 nanoparticles, Tianshu Li and Giulia Galli, Journal of Physical Chemistry C 111, 16192 (2007)

• “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, Physical Review B 73, 024105 (2006)

                       

• Ideal tensile strength in B2 transitional-metal aluminides, Tianshu Li, J.W. Morris, Jr., and D.C. Chrzan, Physical Review B 70, 054107 (2004)

• Microstructure and nanoindentation hardness of Ti/TiN multilayered films, Tianshu Li, H. Li, and F. Pan, Surface and Coatings Technology 137, 225 (2001)