Structure and optical bandgap relationship of π-conjugated systems AL Botelho, Y Shin, J Liu, X Lin PLoS One 9 (1), e86370, 2014 | 45 | 2014 |
Unified Hamiltonian for conducting polymers AL Botelho, Y Shin, M Li, L Jiang, X Lin Journal of Physics: Condensed Matter 23 (45), 455501, 2011 | 22 | 2011 |
Escape mechanism of a self-trapped topological soliton Y Shin, M Li, AL Botelho, X Lin Physical Review B—Condensed Matter and Materials Physics 82 (19), 193101, 2010 | 9 | 2010 |
J., & Lin, X.(2014). Structure and optical bandgap relationship of π-conjugated systems ALS Botelho, L Yongwoo PLoS One 9 (1), 1-8, 0 | 6 | |
Soliton and polaron induced 3D conformational changes in conjugated polymers AL Botelho, X Lin Bulletin of the American Physical Society 54, 2009 | 4 | 2009 |
Predicting the optical gap of conjugated systems AL Botelho Boston University, 2012 | 1 | 2012 |
A unified model Hamiltonian for polythiophene, polypyrrole, polyfuran, free base porphyrin, and polyaniline: Accuracy, transferability, and computational efficiency A Botelho, X Lin APS March Meeting Abstracts 2011, A40. 003, 2011 | 1 | 2011 |
Ab initio study of polypyrrole doped with sulfonated ions for pervaporation of ethanol-water mixtures AL Botelho, X Lin ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 240, 2010 | 1 | 2010 |
Ab-initio study of polypyrrole as a pervaporation membrane A Botelho, X Lin APS March Meeting Abstracts 2010, Z17. 012, 2010 | 1 | 2010 |
New conduction mechanism in doped trans-polyacetylene through soliton-bipolaron transition A Botelho, M Li, X Lin APS March Meeting Abstracts 2010, C1. 030, 2010 | 1 | 2010 |
High-throughput organic semiconductor discovery combining tight-binding and first-principles calculations AL Botelho, T Mueller APS March Meeting Abstracts 2015, F41. 011, 2015 | | 2015 |
Massive computational search for n-type organic semiconductors A Botelho, T Mueller APS March Meeting Abstracts 2013, M5. 010, 2013 | | 2013 |
Model Hamiltonian for predicting the bandgap of conjugated systems AL Botelho, Y Shin, X Lin Bulletin of the American Physical Society 57, 2012 | | 2012 |
Application of the Nudged Elastic Band method to the Su-Schrieffer-Heeger model reveals a new conduction mechanism in trans-polyacetylene AL Botelho, M Li, X Lin ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 240, 2010 | | 2010 |
BRIEF REPORTS Electronic structure and strongly correlated systems Escape mechanism of a self-trapped topological soliton (4 pages) 193101 Y Shin, M Li, AL Botelho, X Lin Physical Review B Condensed Matter And Materials Physics 82 (19), 2010 | | 2010 |
POLY 185-Fast actuation mechanism based on multiple solitons, polarons, and bipolarons in conjugated polymers AL Botelho, X Lin ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 238, 2009 | | 2009 |
Twin instability of Peierls distortion and its mechanical consequence on conductive polymer actuation M Li, A Botelho, X Lin APS March Meeting Abstracts, H20. 011, 2009 | | 2009 |
PMSE 459-Conductive polymer actuation via solitonic deformations and Feynman's rubber band heat engine X Lin, M Li, AL Botelho, P Du ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 236, 2008 | | 2008 |