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Publication date Communities Collections Article title Author(s)
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
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
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
12 Jul 2020 SERC Institute of High Performance Computing Enabling Superior Sodium Capture for Efficient Water Desalination by a Tubular Polyaniline Decorated with Prussian Blue Nanocrystals Wenhui Shi, Xiaoyue Liu, Tianqi Deng, Shaozhuan Huang, Meng Ding, Xiaohe Miao, Chongzhi Zhu, Yihan Zhu, Wenxian Liu, Fangfang Wu, Congjie Gao, Shuo-Wang Yang, Hui Ying Yang, Jiangnan Shen, Xiehong Cao
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
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
5 May 2020 SERC Institute of High Performance Computing Effect of substituents in sulfoxides on the enhancement of thermoelectric properties of PEDOT:PSS: experimental and modelling evidence Qiang Zhu, Erol Yildirim, Xizu Wang, Aung Ko Ko Kyaw, Tao Tang, Xiang Yun Debbie Soo, Zicong Marvin Wong, Gang Wu, Shuo-Wang Yang, Jianwei Xu
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
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
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
6 Jan 2020 SERC Institute of High Performance Computing High Spin Pro-Quinoid Benzo[1,2-c;4,5-c′]bisthiadiazole Conjugated Polymers for High-Performance Solution-Processable Polymer Thermoelectrics Teck Lip Dexter Tam, Gang Wu, Sheau Wei Chien, Shien Fuh Vincent Lim, Shuo-Wang Yang, Jianwei Xu
15 Nov 2019 SERC Institute of High Performance Computing Improved Alignment of PEDOT:PSS Induced by in-situ Crystallization of “Green” Dimethylsulfone Molecules to Enhance the Polymer Thermoelectric Performance Qiang Zhu, Erol Yildirim, Xizu Wang, Xiang Yun Debbie Soo, Yun Zheng, Teck Leong Tan, Gang Wu, Shuo-Wang Yang, Jianwei Xu
19 Sep 2019 SERC Institute of High Performance Computing Proquinoidal-Conjugated Polymer as an Effective Strategy for the Enhancement of Electrical Conductivity and Thermoelectric Properties Teck Lip Dexter Tam, Chee Koon Ng, Siew Lay Lim, Erol Yildirim, Jieun Ko, Wei Lin Leong, Shuo-Wang Yang, Jianwei Xu
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
25 Mar 2019 SERC Institute of High Performance Computing Self-Organization of PEDOT:PSS Induced by Green and Water-Soluble Organic Molecules Erol Yildirim, Qiang Zhu, Gang Wu, Teck Leong Tan, Jianwei Xu, Shuo-Wang Yang
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
19 Dec 2018 SERC Institute of High Performance Computing An experimental and computational approach to pH‐dependent self‐aggregation of poly(2‐isopropyl‐2‐oxazoline) Eda Cagli, Erol Yildirim, Shuo-Wang Yang, Irem Erel‐Goktepe
17 Dec 2018 SERC Institute of High Performance Computing Polymer morphology and interfacial charge transfer dominate over energy-dependent scattering in organic-inorganic thermoelectrics Pawan Kumar, Edmond W. Zaia, Erol Yildirim, D. V. Maheswar Repaka, Shuo-Wang Yang, Jeffrey J. Urban, Kedar Hippalgaonkar
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
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
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
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
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
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
14 Mar 2017 SERC Institute of High Performance Computing Theoretical study on the self-assembly of 1,3,5-triethynylbenzene on Si(100)2 × 1 and in situ polymerization via reaction with CO to fabricate a single surface-grafted polymer Xiaojing Yao, Jinlan Wang, Gang Wu, Shermin S. Goh, Hongjun Zhu, Shuo-Wang Yang
28 Jan 2017 SERC Institute of High Performance Computing Electronic and thermoelectric properties of the group-III nitrides (BN, AlN and GaN) atomic sheets under biaxial strains Zheng Huang, Tie-Yu Lü, Hui-Qiong Wang, Shuo-Wang Yang, Jin-Cheng Zheng
27 Oct 2016 SERC Institute of High Performance Computing How to Fabricate a Surface-Grafted Polythiophene on H‑Si(100)2×1 Surface via Self-Assembling and in Situ Surface Polymerization: A Theoretical Guide Xiaojing Yao, Jinlan Wang, Gang Wu, Jianwei Xu, Shuo-Wang Yang
20 Oct 2016 SERC Institute of High Performance Computing First principles studies on the thermoelectric properties of (SrO)m(SrTiO3)n superlattice Liang Zhang, Tie-Yu Lü, Hui-Qiong Wang, Wen-Xing Zhang, Shuo-Wang Yang, Jin-Cheng Zheng
5 Oct 2016 SERC Institute of High Performance Computing Electronic structures, mechanical properties and carrier mobilities of π-conjugated X(X = Ni, Pd, Pt) bis(dithiolene) nanosheets: Theoretical predictions Tie-Yu Lü, Hai Feng, Shuo-Wang Yang, Jin-Cheng Zheng