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Publication date Communities Collections Article title Author(s) Journal/Conference
5 Feb 2021 SERC Institute of High Performance Computing Ab initio dipolar electron-phonon interactions in two-dimensional materials Tianqi Deng, Gang Wu, Wen Shi, Zicong Marvin Wong, Jian-Sheng Wang, Shuo-Wang Yang Physical Review B
3 Dec 2020 SERC Institute of High Performance Computing Unravelling the Molecular Origin of Organic Semiconductors with High‐Performance Thermoelectric Response Wen Shi, Zicong Marvin Wong, Tianqi Deng, Gang Wu, Shuo‐Wang Yang Advanced Functional Materials
14 Oct 2020 SERC Institute of High Performance Computing Strain Effects on the n-Type Thermoelectric Performance of the Small-Molecule Organic Semiconductor 2-5-Difluoro-7,7,8,8-Tetracyanoquinodimethane Zicong Marvin Wong, Tianqi Deng, Wen Shi, Gang Wu, Shuo-Wang Yang ACS Applied Energy Materials
28 Sep 2020 SERC Institute of High Performance Computing Theoretical search for high-performance thermoelectric donor–acceptor copolymers, the role of super-exchange couplings Xue Yong, Gang Wu, Wen Shi, Zicong Marvin Wong, Tianqi Deng, Qiang Zhu, Xiaoping Yang, Jian-Sheng Wang, Jianwei Xu, Shuo-Wang Yang Journal of Materials Chemistry A
25 Jun 2020 SERC Institute of High Performance Computing High performance photocatalytic and thermoelectric two-dimensional asymmetrically ordered Janus-like MXene alloys Zicong Marvin Wong, Tianqi Deng, Wen Shi, Gang Wu, Teck Leong Tan, Shuo-Wang Yang Materials Advances
28 Apr 2020 SERC Institute of High Performance Computing The Role of Electrostatic Interaction between Free Charge Carriers and Counterions in Thermoelectric Power Factor of Conducting Polymers: From Crystalline to Polycrystalline Domains Erol Yildirim, Gang Wu, Zicong Marvin Wong, Tianqi Deng, Wen Shi, Jian-Sheng Wang, Jianwei Xu, Shuo-Wang Yang Advanced Theory Simulations
8 Apr 2020 SERC Institute of High Performance Computing Correlating charge and thermoelectric transport to paracrystallinity in conducting polymers Anas Abutaha, Pawan Kumar, Erol Yildirim, Wen Shi, Shuo-Wang Yang, Gang Wu, Kedar Hippalgaonkar Nature Communications
11 Feb 2020 SERC Institute of High Performance Computing Beyond the Mahan–Sofo best thermoelectric strategy: high thermoelectric performance from directional π-conjugation in two-dimensional poly(tetrathienoanthracene) Tianqi Deng, Xue Yong, Wen Shi, Zicong Marvin Wong, Gang Wu, Hui Pan, Jian-Sheng Wang, Shuo-Wang Yang Journal of Materials Chemistry A
26 Jul 2019 SERC Institute of High Performance Computing Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small-Molecule Organic Semiconductors Wen Shi, Tianqi Deng, Gang Wu, Kedar Hippalgaonkar, Jian-Sheng Wang, Shuo-Wang Yang Advanced Materials
1 Mar 2019 SERC Institute of High Performance Computing 2D Single‐Layer π‐Conjugated Nickel Bis(dithiolene) Complex: A Good‐Electron‐Poor‐Phonon Thermoelectric Material Tianqi Deng, Xue Yong, Wen Shi, Chee Kwan Gan, Kedar Hippalgaonkar, Jin-Cheng Zheng, Xiaobai Wang, Shuo-Wang Yang, Jian-Sheng Wang, Gang Wu Advanced Electronic Materials
2 Oct 2018 SERC Institute of High Performance Computing Poly(nickel-ethylenetetrathiolate) and Its Analogs: Theoretical Prediction of High-Performance Doping-Free Thermoelectric Polymers Wen Shi, Gang Wu, Kedar Hippalgaonkar, Jian-Sheng Wang, Jianwei Xu, Shuo-Wang Yang Journal of the American Chemical Society
25 Sep 2018 SERC Institute of High Performance Computing Orbital-Engineering-Based Screening of π‑Conjugated d8 Transition- Metal Coordination Polymers for High-Performance n‑Type Thermoelectric Applications Michael B. Sullivan, Shuo-Wang Yang, Wen Shi, Gang Wu, Xue Yong, Tianqi Deng, Jian-Sheng Wang, Jin-Cheng Zheng, Jianwei Xu ACS Applied Materials & Interfaces
17 Sep 2018 SERC Institute of High Performance Computing Tuning the thermoelectric performance of π–d conjugated nickel coordination polymers through metal–ligand frontier molecular orbital alignment Xue Yong, Wen Shi, Gang Wu, Shermin S. Goh, Shiqiang Bai, Jianwei Xu, Jian-Sheng Wang, Shuo-Wang Yang Journal of Materials Chemistry A
17 Sep 2018 SERC Institute of High Performance Computing Tuning the thermoelectric performance of p–d conjugated nickel coordination polymers through metal–ligand frontier molecular orbital alignment Xue Yong, Wen Shi, Gang Wu, Shermin S. Goh, Shiqiang Bai, Jianwei Xu, Jian-Sheng Wang, Shuo-Wang Yang Journal of Materials Chemistry A