Lei Li

发表

Tuning the electronic properties of monolayerand bilayer PtSe 2 via strain engineering

Pengfei Li, Lei Li, X. Zeng, 2016 .

Unraveling a New Chemical Mechanism of Missing Sulfate Formation in Aerosol Haze : Gaseous NO2 with aqueous HSO3-/SO32.

Jinrong Yang, Yi Gao, J. S. Francisco, 2019, Journal of the American Chemical Society.

Characterizing hydrophobicity of amino acid side chains in a protein environment via measuring contact angle of a water nanodroplet on planar peptide network

J. S. Francisco, S. Meng, Lei Li, 2016, Proceedings of the National Academy of Sciences.

Controlling Catalytic Properties of Pd Nanoclusters through Their Chemical Environment at the Atomic Level Using Isoreticular Metal-Organic Frameworks

Zhiyong Guo, Xinle Li, Wenyu Huang, 2016 .

MoS2/MX2 heterobilayers: bandgap engineering via tensile strain or external electrical field.

W. Mei, Xiaojun Wu, N. Lu, 2013, Nanoscale.

Kinetic and mechanistic investigations of the direct synthesis of dimethyl carbonate from carbon dioxide over ceria nanorod catalysts

C. L. Cheung, A. Bhalkikar, Chris M. Marin, 2016 .

Formation of dimethyl carbonate via direct esterification of CO2 with methanol on reduced or stoichiometric CeO2(111) and (110) surfaces.

C. L. Cheung, Chris M. Marin, Lei Li, 2021, Physical chemistry chemical physics : PCCP.

Formation of HONO from the NH3-promoted hydrolysis of NO2 dimers in the atmosphere

Hui Li, Graeme Henkelman, Xiao Cheng Zeng, 2018, Proceedings of the National Academy of Sciences.

Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations

J. S. Francisco, R. He, Lei Li, 2016, Proceedings of the National Academy of Sciences.

Magic-number gold nanoclusters with diameters from 1 to 3.5 nm: relative stability and catalytic activity for CO oxidation.

Andreas Pedersen, Hannes Jónsson, Hui Li, 2015, Nano letters.

Simulation Evidence of Hexagonal‐to‐Tetragonal ZnSe Structure Transition: A Monolayer Material with a Wide‐Range Tunable Direct Bandgap

N. Lu, Pengfei Li, Lei Li, 2015, Advanced science.

Tuning the electronic properties of monolayer and bilayer PtSe2via strain engineering

Pengfei Li, Lei Li, X. Zeng, 2016 .

New Mechanistic Pathways for Criegee-Water Chemistry at the Air/Water Interface.

Manoj Kumar, J. S. Francisco, Lei Li, 2016, Journal of the American Chemical Society.

CO self-promoting oxidation on nanosized gold clusters: triangular Au3 active site and CO induced O-O scission.

Xiaojun Wu, Lei Li, X. Zeng, 2013, Journal of the American Chemical Society.

High-Performance Ru1 /CeO2 Single-Atom Catalyst for CO Oxidation: A Computational Exploration.

Zhongfang Chen, Lei Li, X. Zeng, 2016, Chemphyschem : a European journal of chemical physics and physical chemistry.

PtPd(111) Surface versus PtAu(111) Surface: Which one is more Active for Methanol Oxidation?

D. Tang, R. He, Lei Li, 2018 .

CO oxidation on TiO(2) (110) supported subnanometer gold clusters: size and shape effects.

Zhongfang Chen, Lei Li, X. Zeng, 2013, Journal of the American Chemical Society.

A Theoretical Study of Single-Atom Catalysis of CO Oxidation Using Au Embedded 2D h-BN Monolayer: A CO-Promoted O2 Activation

Jinlong Yang, Xiaojun Wu, Wenhua Zhang, 2014, Scientific Reports.

Carbon Nanotube Superarchitectures: An Ab Initio Study

Xiaojun Wu, Lei Li, X. Zeng, 2011 .

Tuning thermal contact conductance at graphene-copper interface via surface nanoengineering.

Yang Hong, Jingchao Zhang, Lei Li, 2015, Nanoscale.

Interaction of SO2 with the Surface of a Water Nanodroplet.

J. S. Francisco, G. Richmond, Lei Li, 2017, Journal of the American Chemical Society.

Near-Barrierless Ammonium Bisulfate Formation via a Loop-Structure Promoted Proton-Transfer Mechanism on the Surface of Water.

Xiao Cheng Zeng, Jie Zhong, Manoj Kumar, 2016, Journal of the American Chemical Society.

Interaction of the NH2 Radical with the Surface of a Water Droplet.

J. S. Francisco, Lei Li, X. Zeng, 2015, Journal of the American Chemical Society.

Temperature-pressure phase diagram of confined monolayer water/ice at first-principles accuracy with a machine-learning force field

Lei Li, X. Zeng, Jian Jiang, 2023, Nature communications.

Structure transition of Au18 from pyramidal to a hollow-cage during soft-landing onto a TiO2(110) surface.

Lei Li, X. Zeng, Hui Li, 2015, Chemical communications.

MoS 2 /MX 2 heterobilayers: bandgap engineering via tensile strain or external electrical ﬁ eld †

W. Mei, Xiaojun Wu, N. Lu, 2013 .

Direct simulation evidence of generation of oxygen vacancies at the golden cage Au16 and TiO2 (110) interface for CO oxidation.

Lei Li, X. Zeng, 2014, Journal of the American Chemical Society.

Tuning thermal contact conductance at graphene-copper interface via surface nanoengineering.

Yang Hong, Jingchao Zhang, Lei Li, 2015, Nanoscale.

Interaction of the NH2 Radical with the Surface of a Water Droplet.

J. S. Francisco, Lei Li, X. Zeng, 2015, Journal of the American Chemical Society.

Magic-number gold nanoclusters with diameters from 1 to 3.5 nm: relative stability and catalytic activity for CO oxidation.

H. Jónsson, A. Pedersen, Lei Li, 2015, Nano letters.