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I am a materials scientist in LBNL. My primary interest is to understand the fundamental principles in materials, and use them to predict/design new materials. Leveraging the state-of-art atomistic scale simulation tools as well as the recent advance in High-throughput calculations, I seek to explore the electrochemical properties, atomistic configuration, and electronic structures of material systems from an In silico route. Meanwhile, I closely collaborate with experimental scientists to complement their observations.

I have built a solid academic skillset covering a wide spectrum of materials science, including energy materials, nano-materials, materials strain engineering, etc. As one of the core developers in Materials Project, I work with my colleagues and make contribution to the world foremost High-throughput infrastructures and dataset. It is my goal to enable a data-driven approach to accelerate the design and engineering of new materials.

Fishing is my religion. I practice the catch-and-release as much as possible when fishing. There is certainly something in angling that tends to produce a serenity of the mind.


My research yields following publications:

Strongly coupling of Co9S8/Zn-Co-S heterostructures rooted in carbon nanocages towards efficient oxygen evolution reaction, Journal of Catalysis , 2018

Origin of negative thermal expansion in Zn2GeO4 revealed by high pressure study, Journal of Physics D: Applied Physics , 2018

Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models, Journal of Physical Chemistry Letters , 2018

General Synthesis of Dual Carbon-Confined Metal Sulfides Quantum Dots Towards High-Performance Anodes for Sodium-Ion Batteries, Advanced Functional Materials , 2017

Fast Mg2+ Diffusion in Mo3(PO4)3O for Mg Batteries, ChemComm, 2017

Thickness-dependent phase transition and optical behavior of MoS2 films under high pressure , Nano Research, 2017

Surface doping of nanostructures , US Patent App. 15/254,148, 2016

Anharmonicity of monolayer MoS2, MoSe2, and WSe2: A Raman study under high pressure and elevated temperature, Applied Physics Letters, 2017

The Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges, Chemical Reviews, 2017

High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials, Scientific Data, 2017

Evaluation of sulfur spinel compounds for multivalent battery cathode applications, Energy Environmental Science, 2016

A High Capacity Thiospinel Cathode for Mg Batteries, Energy Environmental Science, 2016

Strain-Mediated Interfacial Dynamics During Au-PbS Core-Shell Nanostructure Formation, ACS nano, 2016

Is alpha-V 2 O 5 a cathode material for Mg insertion batteries?, Journal of Power Sources, 2016

Materials Design Rules for Multi-Valent Ion Mobility in Intercalation Structures, Chem. Mater., 2015

First-principles evaluation of Multi-valent cation insertion into Orthorhombic V2O5, Chemical Communications, 2015

Tunable metal-insulator transition in Nd1-xYxNiO3 (x=0.3,0.4) perovskites thin film at near room temperature, Applied Physics Letters, 2015

Spinel Compounds as Multivalent Battery Cathodes: A Systematic Evaluation Based on ab initio Calculations, Energy Environmental Science, 2015

Photoluminescence of Monolayer MoS2 on LaAlO3 and SrTiO3 substrates, Nanoscale, 2014

Quantum Manifestation of Elastic Constants in Nanofilms, Nanotechnology, 2014

Interplay between Quantum Size Effect and Strain Effect on Growth of Nanoscale Metal Thin Film, Phys. Rev. B, 2012

Quantum Electronic Stress: Density-Functional-Theory Formulation and Physical Manifesta- tion, Phys. Rev. Lett., 2012

Chemical versus thermal folding of graphene edges, Nano Research, 2011

Bistability of nanoscale Ag islands on a Si(111)-(4x1)-In surface induced by anisotropic stress, Phys. Rev. Lett., 2009

Quantum Manifestations of Graphene Edge Stress and Edge Instability: A First-Principles Study, Phys. Rev. Lett., 2009

Comparison study of the luminescent properties of the white-light long afterglow phosphors: CaxMgSi2O5+x:Dy3+(x = 1, 2, 3), Journal of Luminescence, 2009

Collective magnetic behavior of graphene nanohole superlattices, Nano Research, 2008

Local Structure of Nanocrystalline Lu2O3:Eu Studied by X-ray Absorption Spectroscopy, J. Phys. Chem. C, 2007

The Valence of Rare Earth Ions in R2MgSi2O7 :Eu,Dy (R=Ca,Sr) Long-afterglow Phosphors, Phys Status Solidi A, 2004

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