C.-M. Wang1, C.-H. Hsu1, J.-S. Yang, and P.-C. Tsai*, “Ab initio Study on Lithium Anode Interface Instability and Stabilization of Superionic Li3InCl6 and Li6PS5Cl Solid Electrolytes”, Journal of Power Sources, 640, 236719, June 2025.

Y.-C. Chuang, NTT Tran, P.-C. Tsai, and S.-K. Lin*, “Ab Initio Study on Changing Behaviors of Lithium-rich Layered Composite Cathode Materials”, Electrochimica Acta, 500, 1 2024, 144760, October 22 2024.

B.-Y. Tsai, S.-K. Jiang, Y.-T. Wu, J.-S. Yang, S.-H. Wu, P.-C. Tsai, W.-N. Su, C.-Y. Chiang, B.-J. Hwang*, “Microscopic Study of Solid-Solid Interfacial Reactions in All-Solid-State Batteries”, The Journal of Physical Chemistry C, 127 (29), 14336–14343, 2023.

P.-C. Tsai, S. Mair, J. Smith, D. M. Halat, P.-H. Chien, K. Kim, D. Zhang, Y. Li, L. Yin, J. Liu, S. H. Lapidus, J. A. Reimer, N. P. Balsara, D. J. Siegel, and Y.-M. Chiang*, “Double Paddle-Wheel Enhanced Sodium Ion Conduction in an Antiperovskite Solid Electrolyte”, Advanced Energy Materials, 13 (7), 2203284, 2023.

Y.-T. Wu and P.-C. Tsai*, “Ab initio Interfacial Chemical Stability of Argyrodite Sulfide Electrolytes and Layered-Structure Cathodes in Solid-State Lithium Batteries”, JOM, 74 (12), 4664-4671, 2022.

K. Kim, Y. Li, P.-C. Tsai, F. Wang, S.-B. Son, Y.-M. Chiang*, and D. J. Siegel*, “Exploring the Synthesis of Alkali-metal Anti-perovskites“, Chemistry of Materials, 34 (3), 947-958, 2022.

B. Wen, Z. Deng, P.-C. Tsai, Z. W. Lebens-Higgins, L. Piper, S.-P. Ong, and Y.-M. Chiang*, “Ultrafast Ion Transport at a Cathode–electrolyte Interface and Its Strong Dependence on Salt Solvation“, Nature Energy, 5, 578-586, 2020.

F. Wang, H. A. Evans, K. Kim, L. Yin, Y. Li, P.-C. Tsai, J. Liu, S. H. Lapidus, C. M. Brown, D. J. Siegel, and Y.-M. Chiang*, “Dynamics of Hydroxyl Anions Promotes Lithium Ion Conduction in Antiperovskite Li2OHCl“, Chemistry of Materials, 32 (19), 8481–8491, 2020.

P.-C. Tsai, R. Nasara, C.-C. Liang, Y.-C Shen, Y.-W Chang, W.-D. Hsu, N.T.T. Tran, and S.-K. Lin*, “Ab Initio Phase Stability and Electronic Conductivity of the Doped-Li4Ti5O12 Anode for Li-ion Batteries”, Acta Materialia, 175, 196-205, 2019.

P.-C. Tsai, B. Wen, M. Wolf, M.-J. Choe, M. Pan, L. Su, J. Cabana, K. Thornton, and Y.-M. Chiang*, “Single-particle Measurements of Electrochemical Kinetics in NMC and NCA Cathodes for Li-ion Batteries”, Energy and Environmental Science, 11, 860-871, 2018.

Z. Li, M. Pan, L. Su, P.-C. Tsai, J. Valle, A. Badel, S. Eiler, F. Brushett, and Y.-M. Chiang*, “Air-breathing Aqueous Sulfur Flow Battery for Ultralow Cost Electrical Storage”, Joule, 1, 306-327, 2017.

R. Nasara, P.-C. Tsai, and S.-K. Lin*, “One-step Synthesis of Highly Oxygen-deficient Lithium Titanate Oxide with Conformal Amorphous Carbon Coating as Anode Material for Lithium-ion Batteries”, Advanced Materials Interfaces, 1700329, 2017.

M. Asadikiya, Y. Zhu, S. Gopalan, Y.-C. Chuang, P.-C. Tsai, R. Nasara, S.-K. Lin, and Y. Zhong*, “Integrated Investigation of the Li4Ti5O12 Phase Stability”, IONICS, 1-7, 2017.

P.-C. Tsai, S.-C. Chung, S.-K. Lin, and A. Yamada*, “Ab Initio Study of Sodium Intercalation into Disordered Carbon”, Journal of Materials Chemistry A, 3, 9763-9768, 2015.

P.-C. Tsai, W.-D. Hsu and S.-K. Lin*, “Atomistic Structure and Ab initio Electrochemical Properties of Li4Ti5O12 Defect Spinel for Li Ion Batteries”, Journal of the Electrochemical Society, 161, A439-A444, 2014.

S.-K. Lin*, M.-Y. Tsai, P.-C. Tsai, and B.-H. Hsu, “Formation of Alternating Interfacial Layers in the Au-12Ge/Ni Joints”, Scientific Reports, 4, 4557-4561, 2014.