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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
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
7 May 2020 SERC Institute of High Performance Computing EPIC STAR: a reliable and efficient approach for phonon- and impurity-limited charge transport calculations Tianqi Deng, Gang Wu, Michael B. Sullivan, Zicong Marvin Wong, Kedar Hippalgaonkar, Jian-Sheng Wang, Shuo-Wang Yang npj Computational Materials
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
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
4 Jun 2018 SERC Institute of High Performance Computing Origin of metallicity in 2D multilayer nickel bis(dithiolene) sheets Suchun Li, Tie-Yu Lü, Jin-Cheng Zheng, Shuo-Wang Yang, Jian-Sheng Wang, Gang Wu 2D Materials
28 Mar 2018 SERC Institute of High Performance Computing A theoretical mechanistic study on electrical conductivity enhancement of DMSO treated PEDOT:PSS Erol Yildirim, Gang Wu, Xue Yong, Teck Leong Tan, Qiang Zhu, Jianwei Xu, Jianyong Ouyang, Jian-Sheng Wang, Shuo-Wang Yang Journal of Materials Chemistry C