包淳偉

Chun-Wei Pao

Education

  • Ph.D. Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544, USA
  • M.A. Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544, USA
  • M.S. Institute of Applied Mechanics, National Taiwan University. Taipei, Taiwan
  • B.S. Department of Power Mechanical Engineering, National Tsing Hua University, Hsin-Chu, Taiwan

Research Fields

  • Atomistic simulation of chemically complex systems (e.g. mixed ion perovskite materials and high entropy alloys) using machine learning.
  • Multiscale simulations of structural properties of emitting layer of OLEDs and photoactive layer of organic solar cells.
  • Large-scale molecular simulation of self-fold nanostructures
  • Lithium platting simulation using phase field models.

Experience

  • Adjunct Professor, Department of Photonics, National Chiao Tung University (02/2020-)
  • IUPAC Distinguished Award 2018 for Novel Materials and their Synthesis
  • Research Fellow, Research Center for Applied Sciences, Academia Sinica, Taipei, Taiwan (09/2018 - )
  • Associate Research Fellow, Research Center for Applied Sciences, Academia Sinica, Taipei, Taiwan (05/14-09/2018).
  • 2014 Youth Award 103年青年獎章 (2014)
  • Young Theorist Award, National Center for Theoretical Sciences (2014)
  • Assistant Research Fellow, Research Center for Applied Sciences, Academia Sinica, Taipei, Taiwan (11/09 - 05/14)
  • Post-doctoral Research Associate, Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA (10/07 - 11/09)
  • NECIS Summer Program Visiting Graduate Student, Sandia National Laboratories, Albuquerque, NM, USA (06/06/06-09/06)
  • Research Assistant, Magnet Group, Synchrotron Radiation Research Center, Hsin-Chu, Taiwan (07/98-08/99)

Patents:


Publications

Remarkably Deep Moiré Potential for Intralayer Excitons in MoSe2/MoS2 Twisted Heterobilayers
Lin Bo-Han, Chao Yung-Chun, Hsieh I−Ta, Chuu Chih-Piao, Lee Chien-Ju, Chu Fu-Hsien, Lu Li-Syuan, Hsu Wei-Ting, (Pao Chun-Wei), Shih Chih-Kang, Su Jung-Jung, Chang Wen-Hao
 [ DOI here ]    Year:2023-02-06
Nano Letters
ZnO/Silicon-Rich Oxide Superlattices with High Thermoelectric Figure of Merit: A Comprehensive Study by Experiment and Molecular Dynamic Simulation
Wu Hsuan-Ta, Su You-Chun, (Pao Chun-Wei*), Shih Chuan-Feng*
 [ DOI here ]    Year:2019
ACS Applied Materials & Interfaces
Intimate interaction of TFSI− anions with MoO3−x oxygen vacancies boost ionic conductivity of cathode-supported solid polymer electrolyte
Paste Rohan, Hanmandlu Chintam, Su Po-Yu, Hou Cheng-Hung, Chen Hsin-An, (Pao Chun-Wei), Shyue Jing-Jong, Chen Kuei-Hsien, Wu Heng-Liang, Lin Hong-Cheu, Chu Chih Wei*
 [ DOI here ]    Year:2023-01-01
Chemical Engineering Journal
Atomistic Investigation of Solid Electrolyte Interphase: nanostructure, Chemical Composition and Mechanical Properties
Hsu P.-C., Lin You-Chen, Wu Wei-Hsuan, (Pao Chun-Wei), Chen Chih-Hung*
 [ DOI here ]    Year:2022-12-01
Journal of The Electrochemical Society
Sweetening Lithium Metal Interface by High Surface and Adhesive Energy Coating of Crystalline α‐ d ‐Glucose Film to Inhibit Dendrite Growth
Abbas Syed Ali, Chen Hsin‐An, Mohapatra Anisha, Singh Anupriya, Li Shenghan, (Pao Chun‐Wei), Chu Chih Wei*
 [ DOI here ]    Year:2022-06-03
Small
Improving Thermal and Photostability of Polymer Solar Cells by Robust Interface Engineering
Su Li‐Yun, Huang Hsin‐Hsiang, Tsai Chang‐En, Hou Cheng‐Hung, Shyue Jing‐Jong, Lu Chien‐Hao, (Pao Chun‐Wei), Yu Ming‐Hsuan, Wang Leeyih*, Chueh Chu‐Chen*
 [ DOI here ]    Year:2022-05-08
Small
A highly distorted ultraelastic chemically complex Elinvar alloy
He Q. F., Wang J. G., Chen H. A., Ding Z. Y., Zhou Z. Q., Xiong L. H., Luan J. H., Pelletier J. M., Qiao J. C., Wang Q., Fan L. L., Ren Y., Zeng Q. S., Liu C. T., (Pao C. W.*), Srolovitz D. J.*, Yang Y.*
 [ DOI here ]    Year:2022
Nature
Few-layer fluorine-functionalized graphene hole-selective contacts for efficient inverted perovskite solar cells
Chintam Hanmandlu, Mamina Sahoo, Chi-Ching Liu, Hsin-An Chen, (Chun-Wei Pao), Yun-Chorng Chang, Chih-Wei Chu*, Chao-Sung Lai*
 [ DOI here ]    Year:2021-10-08
CHEMICAL ENGINEERING JOURNAL
Understanding chemical short-range ordering/demixing coupled with lattice distortion in solid solution high entropy alloys
Q.F. He*, P.H. Tang, H.A. Chen, S. Lan, J.G. Wang, J.H. Luan, M. Du, Y. Liu, C.T. Liu, (C.W. Pao*), Y. Yang*
 [ DOI here ]    Year:2021-07-02
ACTA MATERIALIA
An Efficient and Reversible Battery Anode Electrode Derived from a Lead-Based Metal–Organic Framework
Febri Baskoro, Hui Qi Wong, Kristin B. Labasan, Chen-Wei Cho, (Chun-Wei Pao), Po-Yu Yang, Chien-Cheng Chang, Chih-I Chen, Chu-Chen Chueh, Wanyi Nie*, Hsinhan Tsai*, and Hung-Ju Yen*
 [ DOI here ]    Year:2021-05-13
ENERGY & FUELS
Microstructure Maps of Complex Perovskite Materials from Extensive Monte Carlo Sampling Using Machine Learning-Enabled Energy Model
Hsin-An Chen, Ping-Han Tang, Guan-Jie Chen, Chien-Cheng Chang*, (Chun-Wei Pao*)
 [ DOI here ]    Year:2021-04-06
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Phase-field study of dendritic morphology in lithium metal batteries
Chen Chih-Hung*, (Pao Chun-Wei*)
 [ DOI here ]    Year:2021-02
Journal of Power Sources
Molecular Simulations of the Microstructure Evolution of Solid Electrolyte Interphase during Cyclic Charging/Discharging
Po-Yu Yang, (Chun-Wei Pao*)
 [ DOI here ]    Year:2021-01-20
ACS APPLIED MATERIALS & INTERFACES
Structural and Electronic Properties of Intertwined Defect in Ruddlesden–Popper 2D Perovskites Study Using Density Functional Theory Calculations
Najman Svetozar, Chen Hsin-An, Chen Hsin-Yi Tiffany*, (Pao Chun-Wei*)
 [ DOI here ]    Year:2021
Multiscale Science and Engineering
Surface structures and equilibrium shapes of layered 2D Ruddlesden-Popper perovskite crystals from density functional theory calculations
Najman Svetozar, Chen Hsin-An, Chen Hsin-Yi Tiffany, (Pao Chun-Wei*)
 [ DOI here ]    Year:2020-10
Materials Today Communications
Atomistic Structures and Energetics of Perovskite Nucleation Pathway During Sequential Deposition Process
Chen Hsin-An, Lee Po-Hsiang, (Pao Chun-Wei*)
 [ DOI here ]    Year:2020-09
Multiscale Science and Engineering
Multiscale molecular simulations of the morphological evolution of small-molecule organic solar cells during the vacuum codeposition process
Ping-Han Tang, Ping-Hong Chen, Fang-Cheng Li, Chien-Hao Lu, Ching-I Huang, (Chun-Wei Pao*)
 [ DOI here ]    Year:2020-09-08
PHYSICAL REVIEW MATERIALS
Self‐Assembly Behavior of Diacetylenic Acid Molecules upon Vapor Deposition: Odd–Even Effect on the Film Morphology
Tseng Chiao‐Wei, Huang Ding‐Chi, Yang Han‐Li, Lin Hsieh‐Cheng, Li Fang‐Cheng, (Pao Chun‐Wei), Tao Yu‐Tai*
 [ DOI here ]    Year:2020-07
Chemistry – A European Journal
Modulating Performance and Stability of Inorganic Lead-Free Perovskite Solar Cells via Lewis-Pair Mediation
Singh Anupriya, Najman Svetozar, Mohapatra Anisha, Lu Yu-Jung, Hanmandlu Chintam, (Pao Chun-Wei), Chen Yang-Fang, Lai Chao Sung, Chu Chih-Wei*
 [ DOI here ]    Year:2020-06
ACS Applied Materials & Interfaces
Long-lifespan lithium–metal batteries obtained using a perovskite intercalation layer to stabilize the lithium electrode
Kaisar Nahid, Singh Anupriya, Yang Po-Yu, Chen Yu-Ting, Li Shenghan, (Pao Chun-Wei), Jou Shankay, Chu Chih-Wei*
 [ DOI here ]    Year:2020-04
Journal of Materials Chemistry A
Suppression of surface defects to achieve hysteresis-free inverted perovskite solar cells via quantum dot passivation
Hanmandlu Chintam, Swamy Satyanarayana, Singh Anupriya, Hsin-An Chen , Liu Chi-Ching, Lai Chao-Sung, Mohapatra Anisha, (Pao Chun-Wei), Chen Peilin, Chu Chih-Wei*
 [ DOI here ]    Year:2020-01
Journal of Materials Chemistry A
Artificial Neural Network Model for Atomistic Simulations of Sb/MoS2 van der Waals Heterostructures
Wang Yu-Xuan, Chen Hsin-An, (Pao Chun-Wei*), Chang Chien-Cheng*
 [ DOI here ]    Year:2019-01-01
Multiscale Science and Engineering
A lithium passivated MoO3 nanobelt decorated polypropylene separator for fast-charging long-life Li–S batteries
Kaisar Nahid, Abbas Syed Ali, Ding Jiang, Chen Hsin-An, (Pao Chun-Wei), Boopathi Karunakara Moorthy, Mohapatra Anisha, Chen Yu-Ting, Wu Sheng Hui, Fang Jason, Jou Shyankay, Chu Chih Wei*
 [ DOI here ]    Year:2019
Nanoscale
Al-Doped ZnO/Silicon-rich Oxide Superlattices with High Room-Temperature Thermoelectric Figure of Merit
Wu Hsuan-Ta, (Pao Chun-Wei), Su You-Chun, Shih Chuan-Feng
 [ DOI here ]    Year:2019
Materials Letters
Fast and Accurate Artificial Neural Network Potential Model for MAPbI3 Perovskite Materials
Chen Hsin-An, Pao Chun-Wei
 [ DOI here ]    Year:2019
ACS Omega
Multi-layer elemental 2D materials: antimonene, germanene and stanene grown directly on molybdenum disulfides
Chen Kuan-Chao, Lee Lun-Ming, Chen Hsuan-An, Sun Hsu, Wu Cheng-Lun, Chen Hsin-An, Lin Kuan-Bo, Tseng Yen-Chun, Kaun Chao-Cheng, (Pao Chun-Wei), Lin Shih-Yen*
 [ DOI here ]    Year:2019
Semiconductor Science and Technology
Defect Formation and Modulation during Patterning Supported Graphene Sheets Using Focused Ion Beams
Cheng-Lun Wu, Hsiang-Ting Li, Hsuan-An Chen, Shih-Yen Lin, Min-Hsiung Shih, (Chun-Wei Pao*)
 [ DOI here ]    Year:2018-12-01
Materials Today Communications
Single-Crystal Antimonene Films Prepared by Molecular Beam Epitaxy: Selective Growth and Contact Resistance Reduction of the 2D Material Hetero-structure
Hsuan-An Chen, Hsu Sun, Chong-Rong Wu, Yu-Xuan Wang, Po-Hsiang Lee, (Chun-Wei Pao), Shih-Yen Lin*
 [ DOI here ]    Year:2018-04-13
ACS APPLIED MATERIALS & INTERFACES
Mitigating Metal Dendrite Formation in Lithium–Sulfur Batteries via Morphology-Tunable Graphene Oxide Interfaces
Chen Yu-Ting, Abbas Syed Ali, Kaisar Nahid, Wu Sheng Hui, Chen Hsin-An, Boopathi Karunakara Moorthy, Singh Mriganka, Fang Jason, (Pao Chun-Wei), Chu Chih-Wei*
 [ DOI here ]    Year:2018
ACS Applied Materials & Interfaces
Revealing Ordered Polymer Packing during Freeze-Drying Fabrication of BHJ P3HT:PCBM Layer: In Situ Optical Spectroscopy, Molecular-Dynamic Simulation and X-ray Diffraction
Yu-Bing Lan, Pin-Hao Sher, Cheng-Kuang Lee, (Chun-Wei Pao*), Cheng-Si Tsao*, Yu-Ching Huang, Ping-Tsung Huang; Chih-I Wu, Juen-Kai Wang*
 [ DOI here ]    Year:2017-06
JOURNAL OF PHYSICAL CHEMISTRY C
Electronic and carrier transport properties of small molecule donors
Ramon Valencia Maturana, (Chun-Wei Pao*)
 [ DOI here ]    Year:2017-01
Coupled Systems Mechanics
Folding Sheets with Ion Beams
Cheng-Lun Wu, Fang-Cheng Li, (Chun-Wei Pao)*, David J. Srolovitz*
 [ DOI here ]    Year:2017-01
NANO LETTERS
Multiscale Molecular Simulation of Solution Processing of SMDPPEH:PCBM Small Molecule Organic Solar Cells
Cheng-Kuang Lee, (Chun-Wei Pao*)
 [ DOI here ]    Year:2016-07
ACS Applied Materials & Interfaces
hermoelectric Efficiency of Single-Molecule Junctions: Phase Diagram Constructed from First-Principles Calculations
Ilias Amanatidis, Jing-Yao Kao, Li-Yang Du, (Chun-Wei Pao), Yu-Chang Chen*
 [ DOI here ]    Year:2015-12
Journal of Physical Chemistry C
Transferring-free and large-area graphitic carbon film growth by using molecular beam epitaxy at low growth temperature
Meng-Yu Lin, Cheng-Hung Wang, (Chun-Wei Pao), Shih-Yen Lin*
 [ DOI here ]    Year:2015-09
Journal of Crystal Growth
PSII-LHCII Supercomplex Organizations in Photosynthetic Membrane by Coarse-Grained Simulation
Cheng-Kuang Lee, (Chun-Wei Pao*), Berend Smit*
 [ DOI here ]    Year:2015-02
JOURNAL OF PHYSICAL CHEMISTRY B
Mechanical mutability of polycrystalline graphene from atomistic simulations
Te-Huan Liu, (Chun-Wei Pao)*, Chien-Cheng Chang*
 [ DOI here ]    Year:2014-05
COMPUTATIONAL MATERIALS SCIENCE
Anomalous thermal transport along the grain boundaries of bicrystalline graphene nanoribbons from atomistic simulations
Te-Huan Liu, Shang-Chin Lee, (Chun-Wei Pao)*, Chien-Cheng Chang*
 [ DOI here ]    Year:2014-03
CARBON
Anisotropic thermal conductivity of MoS2 nanoribbons: Chirality and edge effects
Te-Huan Liu, (Chun-Wei Pao)*, Chien-Cheng Chang*
 [ DOI here ]    Year:2014
APPLIED PHYSICS LETTERS
Electrode materials, thermal annealing sequences, and lateral/vertical phase separation of polymer solar cells from multiscale molecular simulations.
Lee CK, Wodo O, Ganapathysubramanian B*, (Pao CW)*
 [ DOI here ]    Year:2014
ACS applied materials & interfaces
Morphology, molecular stacking, dynamics and device performance correlations of vacuum-deposited small-molecule organic solar cells.
Chen CW, Huang ZY, Lin YM, Huang WC, Chen YH, Strzalka J, Chang AY, Schaller RD, Lee CK, (Pao CW), Lin HW
 [ DOI here ]    Year:2014
Physical chemistry chemical physics : PCCP
Nanomorphology Evolution of P3HT:PCBM Blends during Solution-Processing from Coarse-Grained Molecular Simulations
Cheng-Kuang Lee,(Chun-Wei Pao)*
 [ DOI here ]    Year:2014
Journal of Physical Chemistry C
An Analytical Model for Calculating Thermal Properties of 2D Nanomaterials
Te-Huan Liu, (Chun-Wei Pao)*, Chien-Cheng Chang*
 [ DOI here ]    Year:2013-10
APPLIED PHYSICS LETTERS
2-Alkyl-2-thienyl–Substituted Benzo[1,2-b:4,5-b´]dithiophene-Based Donor Molecules for Solution-Processed Organic Solar Cells
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*
    Year:2013-09
ACS Applied Materials & Interfaces
The formation mechanisms and optical characteristics of GaSb quantum rings
Wei-Hsun Lin, Kai-Wei Wang, Yu-An Liao, (Chun-Wei Pao), and Shih-Yen Lin*
 [ DOI here ]    Year:2013-08
JOURNAL OF APPLIED PHYSICS
In situ transmission electron microscopy and first-principles study of Au(100) surface dislocation dynamics
Bo Song, Jacob Jansen, Frans D. Tichelaar, Henny W. Zandbergen*, Grzegorz Gajewski, (Chun-Wei Pao), David J. Srolovitz
 [ DOI here ]    Year:2013-02
SURFACE SCIENCE
Correlation of nanoscale organizations of polymer and nanocrystals in polymer/inorganic nanocrystal bulk heterojunction hybrid solar cells: insights from multiscale molecular simulations
Cheng-Kuang Lee, (Chun-Wei Pao)*, Chun-Wei Chen
 [ DOI here ]    Year:2013-01
Energy & Environmental Science
Thermal response of grain boundaries in graphene sheets under shear strain from atomistic simulations
Te-Huan Liu, (Chun-Wei Pao)*, Chien-Cheng Chang*
 [ DOI here ]    Year:2013-01
COMPUTATIONAL MATERIALS SCIENCE
Diffusion of the Vacancy Defect Leading to the Formation of Multi-Shell Structure
Wen-Jay Lee, (Chun-Wei Pao), Yeng-Tseng Wang, Wan-Sheng Su, Jee-Gong Chang*
 [ DOI here ]    Year:2012-12
JOURNAL OF APPLIED PHYSICS
Dependence of Nanocrystal Dimensionality on the Polymer Nanomorphology, Anisotropic Optical Absorption and Carrier Transport in P3HT:TiO2 Bulk Heterojunctions
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*
 [ DOI here ]    Year:2012-11
Journal of Physical Chemistry C
Low-Temperature Grown Graphene Films by Using Molecular Beam Epitaxy
Meng-Yu Lin, Wei-Ching Guo, Meng-Hsun Wu, Pro-Yao Wang, Te-Huan Liu, (Chun-Wei Pao), Chien-Cheng Chang, Shih-Yen Lin*
 [ DOI here ]    Year:2012-11
APPLIED PHYSICS LETTERS
Effects of dislocation densities and distributions on graphene grain boundary failure strengths from atomistic simulations
Te-Huan Liu, (Chun-Wei Pao)*, Chien-Cheng Chang*
 [ DOI here ]    Year:2012-08
CARBON
Helical Multi-Shell Structures in Gold Nanobridge and Suspending Nanowire
Wen-Jay Lee, (Chun-Wei Pao), Jee-Gong Chang*
 [ DOI here ]    Year:2012-07
JOURNAL OF NANOPARTICLE RESEARCH
Solubility of [6,6]-Phenyl-C61-butyric Acid Methyl Ester and Optimal Blending Ratio of Bulk Heterojunction Polymer Solar Cells
Cheng-Kuang Lee,( Chun-Wei Pao)*
 [ DOI here ]    Year:2012-05
Journal of Physical Chemistry C
Graphene defect polarity dynamics
(Chun-Wei Pao)*, Te-Huan Liu, Chien-Cheng Chang*, David J. Srolovitz
 [ DOI here ]    Year:2012-03
CARBON
Decoupling of CVD graphene by controlled oxidation of recrystallized Cu
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*
 [ DOI here ]    Year:2012-01
RSC Advances
Ab initio calculations of the reaction pathways for methane decomposition over the Cu (111) surface
Grzegorz Gajewski, (Chun-Wei Pao)*
 [ DOI here ]    Year:2011-08
JOURNAL OF CHEMICAL PHYSICS
Multiscale molecular simulations of the nanoscale morphologies of P3HT: PCBM blends for bulk heterojunction organic photovoltaic cells
Cheng-Kuang Lee,( Chun-Wei Pao)*,Chih-Wei Chu
 [ DOI here ]    Year:2011-08
Energy & Environmental Science
Structure, energy, and structural transformations of graphene grain boundaries from atomistic simulations
Te-Huan Liu, Grzegorz Gajewski, (Chun-Wei Pao*), Chien-Cheng Chang*
    Year:2011-02
CARBON