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期刊
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19. S.-T. Ko^, T. Lee^, Q. Ji^, D. Zhang^, W.-T., Peng^ (^contributed equally), X. Wang, W.-C.
Tsai, S. Sun, Z. Wang, W. J. Bowman, S. P. Ong, X. Pan, and J. Luo, Compositionally Complex
Perovskite Oxides: Discovering a New Class of Solid Electrolytes with Interface-Enabled
Conductivity Improvements, Matter, 6, 2395 (2023)
18. W.-T. Peng, D. Brey, S. Giannini, D. Dell”Angelo, I. Burghardt, and J. Blumberger, Exciton
Dissociation in a Model Organic Interface: Excitonic State-based Surface Hopping versus Multi-
Configurational Time-Dependent Hartree, J. Phys. Chem. Lett., 13, 7105 (2022)
17. S. Giannini, W.-T. Peng, L. Cupellini, D. Padula, A. Carof, and J. Blumberger, Exciton
Transfer in Molecular Organic Semiconductors Boosted by Transient Quantum Delocalization,
Nat. Comm., 13, 1-13 (2022)
16. J. Zhang, M. Moemeni, C. Yang, F. Liang, W.-T. Peng, B. G. Levine, R. Lunt, and B. Borhan,
General Strategy for Tuning the Stokes Shifts of Near Infrared Cyanine Dyes, J. Mater. Chem. C,
8, 16769 (2020)
15. W.-T. Peng and B. G. Levine, Ab Initio Molecular Dynamics Study of the Interaction
Between Defects During Nonradiative Recombination, J. Phys. Chem. C., 123, 16588 (2019)
14. B. G. Levine, W.-T. Peng, and M. P. Esch, Locality of Conical Intersections in
Semiconductor Nanomaterials, Phys. Chem. Chem. Phys., 21, 10870 (2019)
13. B. G. Levine, M. P. Esch, B. S. Fales, D. T. Hardwick, W.-T. Peng, and Y. Shu, Conical
Intersections at the Nanoscale: Molecular Ideas for Materials, Annu. Rev. Phys. Chem., 70, 21
(2019)
12. C. Yang, J. Zhang, W.-T. Peng, W. Sheng, D. Liu, P. S. Kuttipillai, M. Young, M. R.
Donahue, B. G. Levine, B. Borhan, and R. R. Lunt, Impact of Stokes Shift on the Performance of
Near-Infrared Harvesting Transparent Luminescent Solar Concentrators, Sci. Rep., 8, 16359
(2018)
11. W.-T. Peng, B. S. Fales, and B. G. Levine, Simulating Electron Dynamics of Complex
Molecules with Time-Dependent Complete Active Space Configuration Interaction, J. Chem.
Theory Comput., 14, 4129 (2018)
10. W.-T. Peng, B. S. Fales, Y. Shu, and B. G. Levine, Dynamics of Recombination via Conical
Intersection in a Semiconductor Nanocrystal, Chem. Sci., 9, 681 (2018)
9. Y. Shu, B. S. Fales, W.-T. Peng, and B. G. Levine, Understanding Nonradiative
Recombination Through Defect-Induced Conical Intersections, J. Phys. Chem. Lett., 8, 4091
(2017)
8. D.-C. Huang, C.-H. Kuo, M.-T. Ho, B.-C. Lin, W.-T. Peng, I. Chao, C.-P. Hsu, and Y.-T. Tao,
Contorted Tetrabenzoacenes of Varied Conjugation: Charge Transport Study with Single-Crystal
Field-Effect Transistors, J. Mater. Chem. C, 5, 7935 (2017)
7. H.-L. Sun, W.-T. Peng, and J.-D. Chai, Assessment of the LFAs-PBE Exchange-Correlation
Potential for High-Order Harmonic Generation of Aligned H2+ Molecules, RSC Adv., 6, 33318
(2016)
6. M.-C. Chen, S. Vegiraju, C.-M. Huang, P.-Y. Huang, K. Prabakaran, S.-L. Yau, W.-C. Chen,
W.-T. Peng, I. Chao, K. Kim, and Y.-T. Tao, Asymmetric Fused Thiophenes for Field-Effect
Transistors: Crystal Structure-Film Microstructure-Transistor Performance Correlations, J.
Mater. Chem. C, 2, 8892 (2014)
5. W.-T. Peng and J.-D. Chai, Assessment of Asymptotically Corrected Model Potentials for
Charge-Transfer-Like Excitations in Oligoacenes, Phys. Chem. Chem. Phys., 16, 21564 (2014)
4. C.-H. Kuo, D.-C. Huang, W.-T. Peng, K. Goto, I. Chao, and Y.-T. Tao, Substituent Effect on
the Crystal Packing and Electronic Coupling of Tetrabenzocoronenes: A Structure-Property
Correlation, J. Mater. Chem. C, 2, 3928 (2014)
3. W.-T. Peng, Y.-C. Chang, and I. Chao, A Design Strategy for Motion Control Systems with
Identical Binding Sites, ChemPhysChem, 14, 500 (2013)
2. S. Pola, C.-H. Kuo, W.-T. Peng, M. M. Islam, I. Chao, and Y.-T. Tao, Contorted
Tetrabenzocoronene Derivatives for Single Crystal Field Effect Transistors: Correlation between
Packing and Mobility, Chem. Mater. 24, 2566 (2012)
1. H.-L. Chen, W.-T. Peng, and J.-J. Ho, Density-Functional Calculation of the Adsorption
and Reaction of CO and H2O Molecules over a 4Rh/CeO2(111) Surface, Chem. Phys., 348, 161
(2008)
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