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Lesheng Li - Publications

Affiliations: 
Princeton University, Princeton, NJ 
Area:
first-principle, materials science, solid state physics
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13 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Li L, Carter EA. Defect-Mediated Charge-Carrier Trapping and Nonradiative Recombination in WSe Monolayers. Journal of the American Chemical Society. PMID 31244193 DOI: 10.1021/Jacs.9B04663  0.555
2019 Li L, Kanai Y. Modeling Electron Injection at Semiconductor–Molecule Interfaces using First-Principles Dynamics Simulation: Effects of Nonadiabatic Coupling, Self-energy, and Surface Models The Journal of Physical Chemistry C. 123: 13295-13303. DOI: 10.1021/Acs.Jpcc.9B01820  0.634
2018 Xu S, Li L, Carter EA. Why and how carbon dioxide conversion to methanol happens on functionalized semiconductor photoelectrodes. Journal of the American Chemical Society. PMID 30398873 DOI: 10.1021/Jacs.8B09946  0.415
2018 Li L, Kanai Y. Dependence of hot electron transfer on surface coverage and adsorbate species at semiconductor-molecule interfaces. Physical Chemistry Chemical Physics : Pccp. PMID 29707709 DOI: 10.1039/C7Cp07247C  0.616
2018 Wong JC, Li L, Kanai Y. Size Dependence and Role of Decoherence in Hot Electron Relaxation within Fluorinated Silicon Quantum Dots: A First-Principles Study The Journal of Physical Chemistry C. 122: 29526-29536. DOI: 10.1021/Acs.Jpcc.8B08030  0.559
2018 Li L, Kanai Y. Modeling Plasmon-Induced Hot-Carrier Transfer Chem. 4: 937-939. DOI: 10.1016/J.Chempr.2018.04.015  0.562
2017 Li L, Wong JC, Kanai Y. Examining the Effect of Exchange-Correlation Approximations in First-Principles Dynamics Simulation of Interfacial Charge Transfer. Journal of Chemical Theory and Computation. PMID 28414909 DOI: 10.1021/Acs.Jctc.7B00183  0.6
2016 Li L, Kanai Y. Excited Electron Dynamics at Semiconductor-Molecule Type-II Heterojunction Interface: First-Principles Dynamics Simulation. The Journal of Physical Chemistry Letters. PMID 27041336 DOI: 10.1021/Acs.Jpclett.6B00436  0.63
2016 Flynn CJ, McCullough SM, Oh EE, Li L, Mercado CC, Farnum BH, Li W, Donley CL, You W, Nozik AJ, McBride JR, Meyer TJ, Kanai Y, Cahoon JF. Site-Selective Passivation of Defects in NiO Solar Photocathodes by Targeted Atomic Deposition. Acs Applied Materials & Interfaces. PMID 26821265 DOI: 10.1021/Acsami.6B01090  0.65
2016 Flynn CJ, McCullough SM, Li L, Donley CL, Kanai Y, Cahoon JF. Passivation of Nickel Vacancy Defects in Nickel Oxide Solar Cells by Targeted Atomic Deposition of Boron The Journal of Physical Chemistry C. 120: 16568-16576. DOI: 10.1021/Acs.Jpcc.6B06593  0.633
2015 Li L, Kanai Y. Antiferromagnetic structures and electronic energy levels at reconstructed NiO(111) surfaces: A DFT+U study Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.235304  0.567
2014 Li L, Giokas PG, Kanai Y, Moran AM. Modeling time-coincident ultrafast electron transfer and solvation processes at molecule-semiconductor interfaces. The Journal of Chemical Physics. 140: 234109. PMID 24952525 DOI: 10.1063/1.4882664  0.663
2011 Li LS, Zhao X. Dangling bond-induced graphitization process on the (111) surface of diamond nanoparticles. The Journal of Chemical Physics. 134: 044711. PMID 21280789 DOI: 10.1063/1.3528726  0.332
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