Publications

Meng-Yu Lin, Cheng-Hung Wang, Chun-Wei Pao, Shih-Yen Lin*, ''Transferring-free and large-area graphitic carbon film growth by using molecular beam epitaxy at low growth temperature", Journal of Crystal Growth (in press).

Cheng-Kuang Lee, Chun-Wei Pao*, Berend Smit*, ``PSII-LHCII Supercomplex Organizations in Photosynthetic Membrane by Coarse-Grained Simulation'', Journal of Physical Chemistry B, (in press)

Te-Huan Liu, Chun-Wei Pao*, and Chien-Cheng Chang* (2014), ``Anisotropic thermal conductivity of [IMAGE png] nanoribbons: Chirality and edge effects'', Applied Physics Letters

Cheng-Kuang Lee, Chun-Wei Pao* (2014), ``Nanomorphology Evolution of P3HT:PCBM Blends during Solution-Processing from Coarse-Grained Molecular Simulations'', Journal of Physical Chemistry C

Te-Huan Liu, Chun-Wei Pao*, and Chien-Cheng Chang* (2014), ``Mechanical mutability of polycrystalline graphene from atomistic simulations'', Computational Materials Science 91, 56

Chang-Wen Chen, Zheng-Yu Huang, Yi-Min Lin, Wei-Ching Huang, Yi-Hong Chen, Joseph Strzalka, Angela Y. Chang, Richard D. Schaller, Cheng-Kuang Lee, Chun-Wei Pao, and Hao-Wu Lin* (2014),"Morphology, Molecule Stacking, Carrier Dynamics and Device Performance Correlations in Vacuum-Deposited Small-Molecule Organic Solar Cells", Physical Chemistry Chemical Physics 16, 8852.

Te-Huan Liu, Shang-Chin Lee, Chun-Wei Pao*, and Chien-Cheng Chang* (2014), ``Anomalous thermal transport along the grain boundaries of bicrystalline graphene nanoribbons from atomistic simulations'', CARBON 73, 432.

Dhananjaya Patra, Tzu-Yen Huang, Chao-Cheng Chiang, Ramon Orlando Valencia Maturana, Chun-Wei Pao, Kuo-Chuan Ho, Kung-Hwa Wei, and Chih-Wei Chu* (2013),"2-Alkyl-2-thienyl-Substituted Benzo[1,2-b:4,5-b] dithiophene-Based Donor Molecules for Solution Processed Organic Solar Cells", ACS Applied Materials [IMAGE png] Interfaces 5, 9494.

Wei-Hsun Lin, Kai-Wei Wang, Yu-An Liao, Chun-Wei Pao, and Shih-Yen Lin* (2013), "The Formation Mechanisms and Optical Characteristics of GaSb Quantum Rings", Journal of Applied Physics 114, 053509.

Te-Huan Liu, Chun-Wei Pao*, and Chien-Cheng Chang* (2013), ``An Analytical Model for Calculating Thermal Properties of 2D Nanomaterials'', Applied Physics Letters 103, 171909

Te-Huan Liu, Chun-Wei Pao*, and Chien-Cheng Chang* (2013), ``Mechanical and thermal response of defective graphene sheet under shear strain from atomistic simulations'', Computational Materials Science 70, 163.

Cheng-Kuang Lee, Chun-Wei Pao* (2013), ''Theoretical Modeling and Computer Simulations of Polymer Solar Cells``, book chapter in Nanomaterials in photovolatics and photochemical cells, edited by Chun-Wei Chen and Jih-Jen Wu (Pan Stanford, submitted).

Cheng-Kuang Lee, Chun-Wei Pao*, Chun-Wei Chen (2013), ''Correlation of nanoscale organizations of polymer and nanocrystals in polymer/inorganic nanocrystal bulk heterojunction hybrid solar cells: insights from multiscale molecular simulations``, Energy [IMAGE png] Environmental Science 6, 307.

Bo Song, Jacob Jansen, Frans D. Tichelaar, Henny W. Zandbergen*, Grzegorz Gajewski, Chun-Wei Pao, David J. Srolovitz (2013), ``In situ transmission electron microscopy and first-principles study of Au(100) surface dislocation dynamics'', Surface Science 608, 154.

Chih-Cheng Lin, Po-Hsun Ho, Chi-Liang Huang, Chao-Hung Du, Chen-Chieh Yu, Hsuen-Li Chen, Yun-Chieh Yeh, Shao-Sian Li, Cheng-Kuang Lee, Chun-Wei Pao, Ching-Pin Chang, Ming-Wen Chu, Chun-Wei Chen* (2012), ''Dependence of Nanocrystal Dimensionality on the Polymer Nanomorphology, Anisotropic Optical Absorption and Carrier Transport in P3HT:TiO2 Bulk Heterojunctions``, Journal of Physical Chemistry C 116, 25081.

Cheng-Kuang Lee, Chun-Wei Pao* (2012), ``Solubility of [IMAGE png]6,6[IMAGE png]-Phenyl-[IMAGE png]-butyric Acid Methyl Ester and Optimal Blending Ratio of Bulk Heterojunction Polymer Solar Cells '', Journal of Physical Chemistry C, 116, 12455.

Meng-Yu Lin, Wei-Ching Guo, Meng-Hsun Wu, Pro-Yao Wang, Te-Huan Liu, Chun-Wei Pao, Chien-Cheng Chang, Shih-Yen Lin (2012)*, ``Low-temperature grown graphene films by using molecular beam epitaxy'', Applied Physics Letters 101, 221911.

Wen-Jay Lee, Chun-Wei Pao, Yeng-Tseng Wang, Wan-Sheng Su, Jee-Gong Chang* (2012), "Diffusion of The Vacancy Defect Leading to The Formation of Multi-Shell Structure", Journal of Applied Physics 112, 114301.

Wen-Jay Lee, Chun-Wei Pao, Jee-Gong Chang* (2012), "Helical Multi-Shell structures in Gold Nanobridge and Suspending Nanowire", Journal of Nanoparticle Research 14, 1058.

Te-Huan Liu, Chun-Wei Pao*, and Chien-Cheng Chang* (2012), ``Effects of dislocation density and distribution on graphene grain boundary strength from atomistic simulations'', CARBON, 50, 3465.

Chun-Wei Pao*, Te-Huan Liu, Chien-Cheng Chang*, and David J. Srolovitz (2012), ``Graphene defect polarity dynamics'', CARBON 50, 2870.

Ang-Yu Lu, Sung-Yen Wei, Chih-Yu Wu, Yenny Hernandez, Tzu-Yin Chen, Chun-Wei Pao, Fu-Rong Chen, Lain-Jong Li* and Zhen-Yu Juang (2012), ``Decoupling of CVD graphene by controlled oxidation of recrystallized Cu'', RSC Advances 2, 3008.

Cheng-Kuang Lee, Chun-Wei Pao*, Chih-Wei Chu (2011), ``Multiscale molecular simulations of the nanoscale morphologies of P3HT:PCBM blends for bulk heterojunction organic photovoltaic cells'', Energy [IMAGE png] Environmental Science 4, 4124.

Grzegorz Gajewski and Chun-Wei Pao* (2011), ``Ab Initio Calculations of the Reaction Pathways for Methane Decomposition Over the Cu (111) Surface'', Journal of Chemical Physics, 135, 064707.

Te-Huan Liu, Grzegorz Gajewski, Chun-Wei Pao*, and Chien-Cheng Chang* (2011), ``Structure, energy, and structural transformations of graphene grain boundaries from atomistic simulations'', CARBON, 49, 2306.

Chun-Wei Pao, Stephen M. Foiles, Edmund B. Webb III, David J. Srolovitz and Jerrold A. Floro (2009), ``Atomistic simulations of the stress evolution during polycrystalline thin film growth", Physical Review B 79, 224113.

Chun-Wei Pao and David J. Srolovitz (2008), ``Compressive film stresses in a thin, tensile heteroepitaxial film'', Applied Physics Letters 93, 011903.

Chun-Wei Pao, David J. Srolovitz, and Henny W. Zandbergen (2007), ``Thermodynamic and kinetic properties of surface dislocations on Au (001) from atomistic simulations", Physical Review B 75, 195405; featured in Virtual Journal of Nanoscale Science and Technology 15, May 14.

Chun-Wei Pao, Stephen M. Foiles, Edmund B. Webb III, David J. Srolovitz and Jerrold A. Floro (2007), ``Thin film compressive stresses due to adatom insertion into grain boundaries ", Physical Review Letters 99, 036102.

Henny W. Zandbergen, Chun-Wei Pao, and David J. Srolovitz (2007), ``Dislocation Injection, Reconstruction, and Atomic Transport on [IMAGE png] Au Terraces", Physical Review Letters 98, 036103.

Chun-Wei Pao, David J. Srolovitz, and Carl V. Thompson (2006), ``Effects of surface defects on surface stresses of Cu (001) and (111)", Physical Review B 74, 155437; featured in Virtual Journal of Nanoscale Science and Technology 14, November 1.

Chun-Wei Pao and David J. Srolovitz (2006), ``Atomistic simulation of stress evolution during island growth", Journal of the Mechanics and Physics of Solids 54, 2527-2543.

Chun-Wei Pao and David J. Srolovitz (2006), ``Stress and morphology evolution during island growth", Physical Review Letters 96, 186103.