Defect energies of graphite: Density-functional calculations L Li, S Reich, J Robertson
Physical Review B—Condensed Matter and Materials Physics 72 (18), 184109, 2005
463 2005 Control the chirality of carbon nanotubes by epitaxial growth S Reich, L Li, J Robertson
Chemical physics letters 421 (4-6), 469-472, 2006
228 2006 First-principles DFT+ U studies of the atomic, electronic, and magnetic structure of α-MnO2 (cryptomelane) E Cockayne, L Li
Chemical Physics Letters 544, 53-58, 2012
164 2012 Structure and formation energy of carbon nanotube caps S Reich, L Li, J Robertson
Physical Review B—Condensed Matter and Materials Physics 72 (16), 165423, 2005
144 2005 First-principles studies of Ta YN Wu, L Li, HP Cheng
Physical Review B—Condensed Matter and Materials Physics 83 (14), 144105, 2011
88 2011 Time-Dependent CO2 Sorption Hysteresis in a One-Dimensional Microporous Octahedral Molecular Sieve L Espinal, W Wong-Ng, JA Kaduk, AJ Allen, CR Snyder, C Chiu, ...
Journal of the American Chemical Society 134 (18), 7944-7951, 2012
84 2012 Investigation of NaY Zeolite with adsorbed CO2 by neutron powder diffraction W Wong-Ng, JA Kaduk, Q Huang, L Espinal, L Li, JW Burress
Microporous and mesoporous materials 172, 95-104, 2013
61 2013 Structural, electrical, phonon, and optical properties of Ti-and V-doped two-dimensional MoS2 I Williamson, S Li, AC Hernandez, M Lawson, Y Chen, L Li
Chemical Physics Letters 674, 157-163, 2017
48 2017 The Potential of Machine Learning for Enhancing CO2 Sequestration, Storage, Transportation, and Utilization-based Processes: A Brief Perspective S Gupta, L Li
Jom 74 (2), 414-428, 2022
46 2022 Epitaxial growth of carbon caps on Ni for chiral selectivity S Reich, L Li, J Robertson
physica status solidi (b) 243 (13), 3494-3499, 2006
37 2006 Reference diffraction patterns, microstructure, and pore-size distribution for the copper (II) benzene-1, 3, 5-tricarboxylate metal organic framework (Cu-BTC) compounds W Wong-Ng, JA Kaduk, DL Siderius, AL Allen, L Espinal, BM Boyerinas, ...
Powder Diffraction 30 (1), 2-13, 2015
34 2015 First-principles studies of substituent effects on squaraine dyes G Barcenas, A Biaggne, OA Mass, CK Wilson, OM Obukhova, ...
RSC advances 11 (31), 19029-19040, 2021
30 2021 Defect generation in TiO 2 nanotube anodes via heat treatment in various atmospheres for lithium-ion batteries AI Savva, KA Smith, M Lawson, SR Croft, AE Weltner, CD Jones, H Bull, ...
Physical Chemistry Chemical Physics 20 (35), 22537-22546, 2018
30 2018 Toward improving ambient volta potential measurements with SKPFM for corrosion studies CM Efaw, T Da Silva, PH Davis, L Li, E Graugnard, MF Hurley
Journal of the Electrochemical Society 166 (11), C3018, 2019
29 2019 Influence of hydrophobicity on excitonic coupling in DNA-templated indolenine squaraine dye aggregates OA Mass, CK Wilson, G Barcenas, EA Terpetschnig, OM Obukhova, ...
The Journal of Physical Chemistry C 126 (7), 3475-3488, 2022
28 2022 A comparison of solid electrolyte interphase formation and evolution on highly oriented pyrolytic and disordered graphite negative electrodes in lithium‐ion batteries H Zhu, JA Russell, Z Fang, P Barnes, L Li, CM Efaw, A Muenzer, J May, ...
Small 17 (52), 2105292, 2021
27 2021 Substituent effects on the solubility and electronic properties of the cyanine dye Cy5: Density functional and time-dependent density functional theory calculations A Biaggne, WB Knowlton, B Yurke, J Lee, L Li
Molecules 26 (3), 524, 2021
27 2021 First-principles surface interaction studies of aluminum-copper and aluminum-copper-magnesium secondary phases in aluminum alloys TH da Silva, EB Nelson, I Williamson, CM Efaw, E Sapper, MF Hurley, L Li
Applied Surface Science 439, 910-918, 2018
24 2018 Electronic and vibrational properties of transition metal-oxides: Comparison of GGA, GGA+ U, and hybrid approaches SC Pandey, X Xu, I Williamson, EB Nelson, L Li
Chemical Physics Letters 669, 1-8, 2017
24 2017 Structures and thermoelectric properties of double-filled (CaxCe1− x) Fe4Sb12 skutterudites YG Yan, W Wong-Ng, L Li, I Levin, JA Kaduk, MR Suchomel, X Sun, ...
Journal of Solid State Chemistry 218, 221-229, 2014
24 2014