Yan Li
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Electronic response and bandstructure modulation of carbon nanotubes in a transverse electrical field
Y Li, SV Rotkin, U Ravaioli
Nano Letters 3 (2), 183-187, 2003
Ab initio calculation of van der Waals bonded molecular crystals
D Lu, Y Li, D Rocca, G Galli
Physical Review Letters 102 (20), 206411, 2009
Thermally Stable N2-Intercalated WO3 Photoanodes for Water Oxidation
Q Mi, Y Ping, Y Li, B Cao, BS Brunschwig, PG Khalifah, GA Galli, HB Gray, ...
Journal of the American Chemical Society 134 (44), 18318-18324, 2012
Electronic structure of thiolate-covered gold nanoparticles: Au102 (MBA) 44
Y Li, G Galli, F Gygi
ACS Nano 2 (9), 1896-1902, 2008
Finite-size effect and wall polarization in a carbon nanotube channel
D Lu, Y Li, SV Rotkin, U Ravaioli, K Schulten
Nano Letters 4 (12), 2383-2387, 2004
Ab initio studies of cellulose I: crystal structure, intermolecular forces, and interactions with water
Y Li, M Lin, JW Davenport
The Journal of Physical Chemistry C 115 (23), 11533-11539, 2011
van der Waals interactions in molecular assemblies from first-principles calculations
Y Li, D Lu, HV Nguyen, G Galli
The Journal of Physical Chemistry A 114 (4), 1944-1952, 2010
Insights into Ionic Transport and Structural Changes in Magnetite during Multiple Electron Transfer Reactions
FW Wei Zhang, David C. Bock, Christopher J. Pelliccione, Yan Li, Lijun Wu ...
Advanced Energy Materials 6, 1502471, 2016
Combined Theoretical and Experimental Study of Band-Edge Control of Si through Surface Functionalization
Y Li, LE O’Leary, NS Lewis, G Galli
The Journal of Physical Chemistry C 117 (10), 5188-5194, 2013
Empirical nanotube model for biological applications
D Lu, Y Li, U Ravaioli, K Schulten
The Journal of Physical Chemistry B 109 (23), 11461-11467, 2005
Calculation of Quasi-Particle Energies of Aromatic Self-Assembled Monolayers on Au (111)
Y Li, D Lu, G Galli
Journal of Chemical Theory and Computation 5 (4), 881-886, 2009
Size dependent behavior of Fe 3 O 4 crystals during electrochemical (de) lithiation: an in situ X-ray diffraction, ex situ X-ray absorption spectroscopy, transmission electron …
DC Bock, CJ Pelliccione, W Zhang, J Timoshenko, KW Knehr, AC West, ...
Physical Chemistry Chemical Physics 19 (31), 20867-20880, 2017
Outstanding activity of sub-nm Au clusters for photocatalytic hydrogen production
P Shen, S Zhao, D Su, Y Li, A Orlov
Applied Catalysis B: Environmental 126, 153-160, 2012
Understanding the Adsorption Mechanism of Xe and Kr in a Metal–Organic Framework from X-ray Structural Analysis and First-Principles Calculations
SK Ghose, Y Li, A Yakovenko, E Dooryhee, L Ehm, LE Ecker, AC Dippel, ...
Journal of Physical Chemistry Letters 6 (10), 1790-1794, 2015
Microscopic characterization of the interface between aromatic isocyanides and Au (111): A first-principles investigation
Y Li, D Lu, SA Swanson, JC Scott, G Galli
The Journal of Physical Chemistry C 112 (16), 6413-6421, 2008
Tungsten Oxide Clathrates for Water Oxidation: A First Principles Study
Y Ping, Y Li, F Gygi, G Galli
Chemistry of Materials 24 (21), 4252-4260, 2012
Electronic and spectroscopic properties of the hydrogen-terminated Si (111) surface from ab initio calculations
Y Li, G Galli
Physical Review B 82 (4), 045321, 2010
Ion-nanotube terahertz oscillator
D Lu, Y Li, U Ravaioli, K Schulten
PhysicalReview Letters 95 (24), 246801, 2005
Exceptional activity of sub-nm Pt clusters on CdS for photocatalytic hydrogen production: a combined experimental and first-principles study
Q Wu, S Xiong, P Shen, S Zhao, Y Li, D Su, A Orlov
Catalysis Science & Technology 5 (4), 2059-2064, 2015
Metal-semiconductor transition and Fermi velocity renormalization in metallic carbon nanotubes
Y Li, U Ravaioli, SV Rotkin
Physical Review B 73 (3), 035415, 2006
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