@article{Hong_2026,author={Hong, Youran and Deng, Tianqi and Li, Xiyao and Han, Zhongkang and Wang, Jian and Song, Kexing and Zhang, Ze and Wang, Jiangwei},title={Upwind electromigration of sub-10-nm metallic nano-interconnects},journal={Nature Communications},year={2026},publisher={Nature},doi={10.1038/s41467-026-70283-9},}
CPB
Dislocation-limited Thermal Transport in Silicon Carbide Dislocations from Machine-learning Molecular Dynamics
Mo Cheng, Xuanyu Jiang, Xiaodong Pi*, and 2 more authors
@article{Cheng_2026,author={Cheng, Mo and Jiang, Xuanyu and Pi, Xiaodong and Yang, Deren and Deng, Tianqi},title={Dislocation-limited Thermal Transport in Silicon Carbide Dislocations from Machine-learning Molecular Dynamics},journal={Chinese Physics B},year={2026},publisher={IOP},doi={10.1088/1674-1056/ae48c5},}
ActaPhys.Sin.
Advances and Prospects in Thermal Transport Theory for Complex Semiconductors
Jin Yang, Ruolin Zhao, Wee-Liat Ong, and 3 more authors
@article{Yang_2026,author={Yang, Jin and Zhao, Ruolin and Ong, Wee-Liat and Pi, Xiaodong and Yang, Deren and Deng, Tianqi},title={Advances and Prospects in Thermal Transport Theory for Complex Semiconductors},journal={Acta Physica Sinica},year={2026},publisher={Institute of Physics CAS},doi={10.7498/aps.75.20251752},}
PRB
Large violation of the Wiedemann-Franz law driven by electron-hole compensation in the topological semimetal CoSi
Luyao Zhong, Xin Jin, Mingquan He, and 4 more authors
@article{Zhong_2026,author={Zhong, Luyao and Jin, Xin and He, Mingquan and Wang, Rui and Zhou, Xiaoyuan and Deng, Tianqi and Yang, Xiaolong},title={Large violation of the Wiedemann-Franz law driven by electron-hole compensation in the topological semimetal CoSi},journal={Physical Review B},year={2026},publisher={APS},doi={10.1103/5svq-g1k7},}
2025
npjQuanMat
Highly mobile carrier-driven Seebeck coefficient enhancement
@article{Liu_2025,author={Liu, Yu and Zhang, Min and Hu, Lirong and Gao, Ziheng and Deng, Tianqi and Fu, Chenguang and Zhu, Tiejun},title={Highly mobile carrier-driven Seebeck coefficient enhancement},journal={npj Quantum Materials},year={2025},publisher={Nature},doi={10.1038/s41535-025-00837-5},}
APL
Revealing phonon signature of dislocations in silicon carbide using machine-learning interatomic potential
Mo Cheng, Xuanyu Jiang, Haoming Zhang, and 3 more authors
@article{Cheng_2025,author={Cheng, Mo and Jiang, Xuanyu and Zhang, Haoming and Pi, Xiaodong and Yang, Deren and Deng, Tianqi},title={Revealing phonon signature of dislocations in silicon carbide using machine-learning interatomic potential},journal={Applied Physics Letters},year={2025},publisher={AIP},doi={10.1063/5.0298852},}
AElM
Temperature and Doping Dependence of Carbon Interstitial Diffusion in 4H‐SiC from First Principles
Pan Deng, Xuanyu Jiang, Xiaodong Pi*, and 2 more authors
@article{Deng_2025b,author={Deng, Pan and Jiang, Xuanyu and Pi, Xiaodong and Yang, Deren and Deng, Tianqi},title={Temperature and Doping Dependence of Carbon Interstitial Diffusion in 4H‐SiC from First Principles},journal={Advanced Electronic Materials},year={2025},publisher={Wiley},doi={10.1002/aelm.202500467},}
Adv.Theo.Sim.
Carbon Interstitial Diffusion in 3C‐SiC: Role of Charge‐State Transitions and Entropy
Pan Deng, Xuanyu Jiang, Xiaodong Pi*, and 2 more authors
@article{Deng_2025a,author={Deng, Pan and Jiang, Xuanyu and Pi, Xiaodong and Yang, Deren and Deng, Tianqi},title={Carbon Interstitial Diffusion in 3C‐SiC: Role of Charge‐State Transitions and Entropy},journal={Advanced Theory and Simulations},year={2025},publisher={Wiley},doi={10.1002/adts.202501088},}
JMI
Neuroevolution potential for thermal transport in silicon carbide
Haoming Zhang, Mo Cheng, Xuanyu Jiang, and 4 more authors
@article{Zhang_2025b,author={Zhang, Haoming and Cheng, Mo and Jiang, Xuanyu and Zhang, Hui and Pi, Xiaodong and Yang, Deren and Deng, Tianqi},title={Neuroevolution potential for thermal transport in silicon carbide},journal={Journal of Materials Informatics},year={2025},publisher={OAE},doi={10.20517/jmi.2025.06},}
@article{Yang_2025,author={Yang, Yue and Xiao, Zhenyu and Mao, Yu and Li, Zhanghuan and Wang, Zhenyang and Deng, Tianqi and Tang, Yanhao and Song, Zhi-Da and Li, Yuan and Yuan, Huiqiu and Shi, Ming and Xu, Yuanfeng},title={Catalogue of chiral phonon materials},journal={arxiv},year={2025},doi={10.48550/arXiv.2506.13721},}
arxiv
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
Masato Ohnishi, Tianqi Deng, Pol Torres, and 15 more authors
@article{Ohnishi_2025,author={Ohnishi, Masato and Deng, Tianqi and Torres, Pol and Xu, Zhihao and Tadano, Terumasa and Zhang, Haoming and Nong, Wei and Hanai, Masatoshi and Tian, Zhiting and Hu, Ming and Ruan, Xiulin and Yoshida, Ryo and Suzumura, Toyotaro and Lindsay, Lucas and McGaughey, Alan and Luo, Tengfei and Hippalgaonkar, Kedar and Shiomi, Junichiro},title={Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations},journal={arxiv},year={2025},doi={10.48550/arXiv.2504.21245},}
APL
Role of entropy in silicon carbide polytype competition
Xuanyu Jiang, Xuefeng Han, Xiaodong Pi*, and 2 more authors
@article{Jiang_2025b,author={Jiang, Xuanyu and Han, Xuefeng and Pi, Xiaodong and Yang, Deren and Deng, Tianqi},title={Role of entropy in silicon carbide polytype competition},journal={Applied Physics Letters},year={2025},publisher={AIP},doi={10.1063/5.0256206},}
npjCompMat
P-type dopability in Half-Heusler thermoelectric semiconductors
Lirong Hu, Shen Han, Tiejun Zhu, and 2 more authors
@article{Hu_2025,author={Hu, Lirong and Han, Shen and Zhu, Tiejun and Deng, Tianqi and Fu, Chenguang},title={P-type dopability in Half-Heusler thermoelectric semiconductors},journal={npj Computational Materials},year={2025},publisher={Nature},doi={10.1038/s41524-025-01595-5},}
APL
Phonon folding and transport in SiC polytypes from first principles
Haoming Zhang, Xuanyu Jiang, Hui Zhang, and 3 more authors
@article{Zhang_2025a,author={Zhang, Haoming and Jiang, Xuanyu and Zhang, Hui and Pi, Xiaodong and Yang, Deren and Deng, Tianqi},title={Phonon folding and transport in SiC polytypes from first principles},journal={Applied Physics Letters},year={2025},publisher={AIP},doi={10.1063/5.0260036},}
NatChem
Molecular contacts with an orthogonal π-skeleton induce amorphization to enhance perovskite solar cell performance
Jingjing Zhou, Yixin Luo, Runda Li, and 28 more authors
@article{Zhou_2025,author={Zhou, Jingjing and Luo, Yixin and Li, Runda and Tian, Liuwen and Zhao, Ke and Shen, Jiahui and Jin, Donger and Peng, Zixuan and Yao, Libing and Zhang, Li and Liu, Qingqing and Zhang, Shaochen and Jin, Lu and Chu, Shenglong and Wang, Sisi and Tian, Yuan and Xu, Jiazhe and Zhang, Xu and Shi, Pengju and Wang, Xiaonan and Fan, Wei and Sun, Xuechun and Sun, Jingyi and Chen, Luo-Zhou and Wu, Gang and Shi, Wen and Wang, Hong-Fei and Deng, Tianqi and Wang, Rui and Yang, Deren and Xue, Jingjing},title={Molecular contacts with an orthogonal π-skeleton induce amorphization to enhance perovskite solar cell performance},journal={Nature Chemistry},year={2025},publisher={Nature},doi={10.1038/s41557-025-01732-z},}
NatMater
Iterative sublattice amorphization facilitates exceptional processability in inorganic semiconductors
Yuechu Wang, Airan Li, Youran Hong, and 7 more authors
@article{Wang_2025,author={Wang, Yuechu and Li, Airan and Hong, Youran and Deng, Tianqi and Deng, Pan and Huang, Yi and Liu, Kai and Wang, Jiangwei and Fu, Chenguang and Zhu, Tiejun},title={Iterative sublattice amorphization facilitates exceptional processability in inorganic semiconductors},journal={Nature Materials},year={2025},publisher={Nature},doi={10.1038/s41563-024-02112-7},}
JMCC
Carrier Lifetime Killer in 4H-SiC: Carrier Capture Path by Carbon Vacancies
Xuanyu Jiang, Yuanchao Huang, Rong Wang, and 3 more authors
@article{Jiang_2025a,author={Jiang, Xuanyu and Huang, Yuanchao and Wang, Rong and Pi, Xiaodong and Yang, Deren and Deng, Tianqi},title={Carrier Lifetime Killer in 4H-SiC: Carrier Capture Path by Carbon Vacancies},journal={Journal of Materials Chemistry C},year={2025},publisher={RSC},doi={10.1039/D4TC04558K},}
CGD
Highly Coherent Grain Boundaries Induced by Local Pseudomirror Symmetry in β-Ga2O3
Yuchao Yan, Yingying Liu, Ziyi Wang, and 10 more authors
@article{Yan_2025,author={Yan, Yuchao and Liu, Yingying and Wang, Ziyi and Liu, Da and Gao, Xu and Wang, Yan and Li, Cheng and Ma, KeKe and Xia, Ning and Jin, Zhu and Deng, Tianqi and Zhang, Hui and Yang, Deren},title={Highly Coherent Grain Boundaries Induced by Local Pseudomirror Symmetry in β-Ga2O3},journal={Crystal Growth & Design},year={2025},publisher={ACS},doi={10.1021/acs.cgd.4c01504},}
2024
APL
Oxygen-close-packed (310)-plane substrates of β-Ga2O3 grown by the casting method
@article{Yan_2024c,author={Yan, Yuchao and Gao, Xu and Liu, Da and Xiong, Huifan and Liu, Yingying and Ma, Keke and Wu, Dan and Wang, Jiabin and Wang, Yan and Xia, Ning and Deng, Tianqi and Jin, Zhu and Zhang, Hui and Yang, Deren},title={Oxygen-close-packed (310)-plane substrates of β-Ga2O3 grown by the casting method},journal={Applied Physics Letters},year={2024},volume={125},number={10},pages={102101},publisher={AIP},doi={10.1063/5.0222214},}
NatPhoton
High-entropy hybrid perovskites with disordered organic moieties for perovskite solar cells
@article{Tian_2024,title={High-entropy hybrid perovskites with disordered organic moieties for perovskite solar cells},doi={10.1038/s41566-024-01468-1},journal={Nature Photonics},author={Tian, Yuan and Zhang, Xu and Zhao, Ke and Miao, Xiaohe and Deng, Tianqi and Fan, Wei and Jin, Donger and Jiang, Xuanyu and Zhong, Shulin and Wang, Xiaonan and Wang, Sisi and Shi, Pengju and Tian, Liuwen and Yao, Libing and Gong, Shaokuan and Yu, Xuemeng and Gao, Xingyu and Chen, Zhong and Chen, Xihan and Lu, Yunhao and Shrote, Vinayak and Yang, Yang and Yang, Deren and Wang, Rui and Xue, Jingjing},month=jul,year={2024},}
AdvSci
S-Block Metal Mg-Mediated Co─N─C as Efficient Oxygen Electrocatalyst for Durable and Temperature-Adapted Zn–Air Batteries
Henan Wang, Xinxin Niu, Wenxian Liu*, and 10 more authors
@article{Wang_2024,title={S-Block Metal Mg-Mediated Co─N─C as Efficient Oxygen Electrocatalyst for Durable and Temperature-Adapted Zn–Air Batteries},doi={10.1002/advs.202403865},journal={Advanced Science},author={Wang, Henan and Niu, Xinxin and Liu, Wenxian and Yin, Ruilian and Dai, Jiale and Guo, Wei and Kong, Chao and Ma, Lu and Ding, Xia and Wu, Fangfang and Shi, Wenhui and Deng, Tianqi and Cao, Xiehong},month=jul,year={2024},}
PRApplied
Enhancing the mechanical strength of β-Ga2O3 with Al alloying
Yuchao Yan, Cheng Li, Ning Xia, and 3 more authors
@article{Yan_2024b,author={Yan, Yuchao and Li, Cheng and Xia, Ning and Deng, Tianqi and Zhang, Hui and Yang, Deren},title={Enhancing the mechanical strength of β-Ga2O3 with Al alloying},journal={Physical Review Applied},year={2024},publisher={American Physical Society ({APS})},doi={10.1103/PhysRevApplied.21.064036},volume={21},number={6},page={064036},}
JAP
Identifying the charge states of carbon vacancies in 4H-SiC by ab initio metadynamics
Yuanchao Huang, Xuanyu Jiang, Tianqi Deng*, and 2 more authors
@article{Huang_2024,author={Huang, Yuanchao and Jiang, Xuanyu and Deng, Tianqi and Yang, Deren and Pi, Xiaodong},title={Identifying the charge states of carbon vacancies in 4H-SiC by ab initio metadynamics},journal={Journal of Applied Physics},year={2024},volume={135},number={13},pages={135701},publisher={AIP},doi={10.1063/5.0195321},}
APL
Anisotropic thermal expansion tensor of β-Ga2O3 and its critical role in casting grown crystal cracking
@article{Yan_2024a,author={Yan, Yuchao and Wu, Dan and Xia, Ning and Deng, Tianqi and Zhang, Hui and Yang, Deren},title={Anisotropic thermal expansion tensor of β-Ga2O3 and its critical role in casting grown crystal cracking},journal={Applied Physics Letters},year={2024},volume={124},number={12},pages={122102},publisher={AIP},doi={10.1063/5.0195733},}
DD
Machine learning based feature engineering for thermoelectric materials by design
U. S. Vaitesswar, Daniil Bash, Tan Huang, and 5 more authors
@article{Vaitesswar_2024,author={Vaitesswar, U. S. and Bash, Daniil and Huang, Tan and Recatala-Gomez, Jose and Deng, Tianqi and Yang, Shuo-Wang and Wang, Xiaonan and Hippalgaonkar, Kedar},title={Machine learning based feature engineering for thermoelectric materials by design},journal={Digital Discovery},year={2024},volume={3},number={1},pages={210-220},publisher={RSC},doi={10.1039/D3DD00131H},}
2023
JMCA
Atomistic design of two-dimensional covalent organic frameworks with high thermoelectric performance
Tingxia Zhou, Xiaomei Wu, Tianqi Deng, and 3 more authors
@article{Zhou_2023,doi={10.1039/d3ta02146g},year={2023},publisher={Royal Society of Chemistry ({RSC})},volume={11},number={29},pages={15821--15832},author={Zhou, Tingxia and Wu, Xiaomei and Deng, Tianqi and Li, Haoyuan and Gao, Zhibin and Shi, Wen},title={Atomistic design of two-dimensional covalent organic frameworks with high thermoelectric performance},journal={Journal of Materials Chemistry A},}
JACS
Kanatzidisite: A Natural Compound with Distinctive van der Waals Heterolayered Architecture
Luca Bindi, Xiuquan Zhou, Tianqi Deng, and 2 more authors
Journal of the American Chemical Society, Aug 2023
@article{Bindi_2023,doi={10.1021/jacs.3c06433},year={2023},month=aug,publisher={American Chemical Society ({ACS})},volume={145},number={33},pages={18227--18232},author={Bindi, Luca and Zhou, Xiuquan and Deng, Tianqi and Li, Zhi and Wolverton, Christopher},title={Kanatzidisite: A Natural Compound with Distinctive van der Waals Heterolayered Architecture},journal={Journal of the American Chemical Society},}
PRB
Phonon-limited carrier mobilities and Hall factors in 4H-SiC from first principles
@article{Deng_2023,doi={10.1103/physrevb.107.235203},year={2023},month=jun,publisher={American Physical Society ({APS})},volume={107},number={23},page={235203},author={Deng, Tianqi and Yang, Deren and Pi, Xiaodong},title={Phonon-limited carrier mobilities and Hall factors in 4H-{SiC} from first principles},journal={Physical Review B},}
Adv.Sci.
Atomistic Insights into the Origin of High-Performance Thermoelectric Response in Hybrid Perovskites
Wen Shi*, Mingjia Yao, Xiaomei Wu, and 5 more authors
@article{Shi_2023,doi={10.1002/advs.202300666},year={2023},month=may,publisher={Wiley},author={Shi, Wen and Yao, Mingjia and Wu, Xiaomei and Zhou, Tingxia and Yong, Xue and Deng, Tianqi and Ma, Huili and Xi, Jinyang},title={Atomistic Insights into the Origin of High-Performance Thermoelectric Response in Hybrid Perovskites},journal={Advanced Science},}
JACS
Three-Component Donor–\pi–Acceptor Covalent–Organic Frameworks for Boosting Photocatalytic Hydrogen Evolution
Ziping Li†, Tianqi Deng†, Si Ma, and 7 more authors
Journal of the American Chemical Society, Mar 2023
@article{Li_2023,doi={10.1021/jacs.2c11893},year={2023},month=mar,publisher={American Chemical Society ({ACS})},author={Li, Ziping and Deng, Tianqi and Ma, Si and Zhang, Zhenwei and Wu, Gang and Wang, Jiaao and Li, Qizhen and Xia, Hong and Yang, Shuo-Wang and Liu, Xiaoming},title={Three-Component Donor{\textendash}$\pi${\textendash}Acceptor Covalent{\textendash}Organic Frameworks for Boosting Photocatalytic Hydrogen Evolution},journal={Journal of the American Chemical Society},}
2022
NewJPhys
Effect of hexagonality on the pressure-dependent lattice dynamics of 4H-SiC
Junran Zhang, Tao Liang, Yunhao Lu, and 7 more authors
@article{Zhang_2022,doi={10.1088/1367-2630/ac9c79},year={2022},month=nov,publisher={IOP},author={Zhang, Junran and Liang, Tao and Lu, Yunhao and Xu, Binjie and Deng, Tianqi and Zhang, Yiqiang and Zeng, Zhidan and Pi, Xiaodong and Yang, Deren and Wang, Rong},title={Effect of hexagonality on the pressure-dependent lattice dynamics of 4H-SiC},volume={24},number={11},pages={113015},journal={New Journal of Physics},}
Angew
Photocatalytic Hydrogen Production on a sp2-Carbon-Linked Covalent Organic Framework
Si Ma†, Tianqi Deng†, Ziping Li, and 6 more authors
@article{Ma_2022,doi={10.1002/anie.202208919},year={2022},month=aug,publisher={Wiley},author={Ma, Si and Deng, Tianqi and Li, Ziping and Zhang, Zhenwei and Jia, Ji and Wu, Gang and Xia, Hong and Yang, Shuo-Wang and Liu, Xiaoming},title={Photocatalytic Hydrogen Production on a sp2-Carbon-Linked Covalent Organic Framework},journal={Angewandte Chemie International Edition},}
@article{Wong_2022,doi={10.1021/acs.jpca.2c04134},year={2022},month=aug,publisher={American Chemical Society ({ACS})},author={Wong, Zicong Marvin and Yong, Xue and Deng, Tianqi and Shi, Wen and Wu, Gang and Li, Ning and Luo, He-Kuan and Yang, Shuo-Wang},title={Neutral Antiaromatic Bis(1,2-dithiolene)-Chelated Nickel Complexes Bearing Multiradical Characters},journal={The Journal of Physical Chemistry A},}
2021
Mater.Horiz.
Electronic transport descriptors for the rapid screening of thermoelectric materials
Tianqi Deng†, Jose Recatala-Gomez†, Masato Ohnishi†, and 11 more authors
@article{Deng_2021c,doi={10.1039/d1mh00751c},year={2021},publisher={Royal Society of Chemistry ({RSC})},volume={8},number={9},pages={2463--2474},author={Deng, Tianqi and Recatala-Gomez, Jose and Ohnishi, Masato and Repaka, D. V. Maheswar and Kumar, Pawan and Suwardi, Ady and Abutaha, Anas and Nandhakumar, Iris and Biswas, Kanishka and Sullivan, Michael B. and Wu, Gang and Shiomi, Junichiro and Yang, Shuo-Wang and Hippalgaonkar, Kedar},title={Electronic transport descriptors for the rapid screening of thermoelectric materials},journal={Materials Horizons},}
AM
Gate-Defined Quantum Confinement in CVD 2D WS2
Chit Siong Lau, Jing Yee Chee, Liemao Cao, and 16 more authors
@article{Lau_2021,doi={10.1002/adma.202103907},year={2021},month=aug,publisher={Wiley},pages={2103907},author={Lau, Chit Siong and Chee, Jing Yee and Cao, Liemao and Ooi, Zi-En and Tong, Shi Wun and Bosman, Michel and Bussolotti, Fabio and Deng, Tianqi and Wu, Gang and Yang, Shuo-Wang and Wang, Tong and Teo, Siew Lang and Wong, Calvin Pei Yu and Chai, Jian Wei and Chen, Li and Zhang, Zhong Ming and Ang, Kah-Wee and Ang, Yee Sin and Goh, Kuan Eng Johnson},title={Gate-Defined Quantum Confinement in {CVD} 2D {WS}2},journal={Advanced Materials},}
JPCLett.
Designing Intrinsic Topological Insulators in Two-Dimensional Metal–Organic Frameworks
Tianqi Deng, Wen Shi, Zicong Marvin Wong, and 5 more authors
The Journal of Physical Chemistry Letters, Jul 2021
@article{Deng_2021b,doi={10.1021/acs.jpclett.1c01731},year={2021},month=jul,publisher={American Chemical Society ({ACS})},pages={6934--6940},author={Deng, Tianqi and Shi, Wen and Wong, Zicong Marvin and Wu, Gang and Yang, Xiaoping and Zheng, Jin-Cheng and Pan, Hui and Yang, Shuo-Wang},title={Designing Intrinsic Topological Insulators in Two-Dimensional Metal{\textendash}Organic Frameworks},journal={The Journal of Physical Chemistry Letters},}
Angew
Boosting Electrocatalytic Activity of 3d-Block Metal (Hydro)oxides by Ligand-Induced Conversion
Wenxian Liu, Dong Zheng, Tianqi Deng, and 9 more authors
@article{Liu_2021,doi={10.1002/anie.202100371},year={2021},month=mar,publisher={Wiley},volume={60},number={19},pages={10614--10619},author={Liu, Wenxian and Zheng, Dong and Deng, Tianqi and Chen, Qiaoli and Zhu, Chongzhi and Pei, Chengjie and Li, Hai and Wu, Fangfang and Shi, Wenhui and Yang, Shuo-Wang and Zhu, Yihan and Cao, Xiehong},title={Boosting Electrocatalytic Activity of 3d-Block Metal (Hydro)oxides by Ligand-Induced Conversion},journal={Angewandte Chemie International Edition},}
npjCompMat
A molecular roadmap towards organic donor-acceptor complexes with high-performance thermoelectric response
Wen Shi, Tianqi Deng, Zicong Marvin Wong, and 2 more authors
@article{Shi_2021,doi={10.1038/s41524-021-00580-y},year={2021},author={Shi, Wen and Deng, Tianqi and Wong, Zicong Marvin and Wu, Gang and Yang, Shuo-Wang},title={A molecular roadmap towards organic donor-acceptor complexes with high-performance thermoelectric response},journal={npj Computational Materials},}
PRB
Ab initio dipolar electron-phonon interactions in two-dimensional materials
Tianqi Deng, Gang Wu*, Wen Shi, and 3 more authors
@article{Deng_2021a,doi={10.1103/physrevb.103.075410},year={2021},month=feb,publisher={American Physical Society ({APS})},volume={103},number={7},page={075410},author={Deng, Tianqi and Wu, Gang and Shi, Wen and Wong, Zicong Marvin and Wang, Jian-Sheng and Yang, Shuo-Wang},title={$Ab initio$ dipolar electron-phonon interactions in two-dimensional materials},journal={Physical Review B},}
2020
npjCompMat
EPIC STAR: a reliable and efficient approach for phonon- and impurity-limited charge transport calculations
Tianqi Deng, Gang Wu*, Michael B. Sullivan, and 4 more authors
@article{Deng_2020b,doi={10.1038/s41524-020-0316-7},year={2020},author={Deng, Tianqi and Wu, Gang and Sullivan, Michael B. and Wong, Zicong Marvin and Hippalgaonkar, Kedar and Wang, Jian-Sheng and Yang, Shuo-Wang},title={EPIC STAR: a reliable and efficient approach for phonon- and impurity-limited charge transport calculations},journal={npj Computational Materials},}
JMCA
Beyond the Mahan–Sofo best thermoelectric strategy: high thermoelectric performance from directional \pi-conjugation in two-dimensional poly(tetrathienoanthracene)
Tianqi Deng, Xue Yong, Wen Shi, and 5 more authors
@article{Deng_2020a,doi={10.1039/c9ta13886b},year={2020},publisher={Royal Society of Chemistry ({RSC})},author={Deng, Tianqi and Yong, Xue and Shi, Wen and Wong, Zicong Marvin and Wu, Gang and Pan, Hui and Wang, Jian-Sheng and Yang, Shuo-Wang},title={Beyond the Mahan{\textendash}Sofo best thermoelectric strategy: high thermoelectric performance from directional $\pi$-conjugation in two-dimensional poly(tetrathienoanthracene)},journal={Journal of Materials Chemistry A},}
Mater.Adv.
High performance photocatalytic and thermoelectric two-dimensional asymmetrically ordered Janus-like MXene alloys
Zicong Marvin Wong, Tianqi Deng, Wen Shi, and 3 more authors
@article{Wong_2020b,doi={10.1039/d0ma00391c},year={2020},publisher={Royal Society of Chemistry ({RSC})},author={Wong, Zicong Marvin and Deng, Tianqi and Shi, Wen and Wu, Gang and Tan, Teck Leong and Yang, Shuo-Wang},title={High performance photocatalytic and thermoelectric two-dimensional asymmetrically ordered Janus-like {MXene} alloys},journal={Materials Advances},}
JMCA
Theoretical search for high-performance thermoelectric donor–acceptor copolymers: the role of super-exchange couplings
@article{Yong_2020,doi={10.1039/d0ta05765g},year={2020},publisher={Royal Society of Chemistry ({RSC})},author={Yong, Xue and Wu, Gang and Shi, Wen and Wong, Zicong Marvin and Deng, Tianqi and Zhu, Qiang and Yang, Xiaoping and Wang, Jian-Sheng and Xu, Jianwei and Yang, Shuo-Wang},title={Theoretical search for high-performance thermoelectric donor{\textendash}acceptor copolymers: the role of super-exchange couplings},journal={Journal of Materials Chemistry A},}
AFM
Unravelling the Molecular Origin of Organic Semiconductors with High-Performance Thermoelectric Response
Wen Shi, Zicong Marvin Wong, Tianqi Deng, and 2 more authors
@article{Shi_2020c,doi={10.1002/adfm.202007438},year={2020},month=dec,publisher={Wiley},pages={2007438},author={Shi, Wen and Wong, Zicong Marvin and Deng, Tianqi and Wu, Gang and Yang, Shuo-Wang},title={Unravelling the Molecular Origin of Organic Semiconductors with High-Performance Thermoelectric Response},journal={Advanced Functional Materials},}
ACS AEnM
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, and 2 more authors
@article{Wong_2020a,doi={10.1021/acsaem.0c01875},year={2020},month=oct,publisher={American Chemical Society ({ACS})},volume={3},number={10},pages={10174--10182},author={Wong, Zicong Marvin and Deng, Tianqi and Shi, Wen and Wu, Gang and Yang, Shuo-Wang},title={Strain Effects on the n-Type Thermoelectric Performance of the Small-Molecule Organic Semiconductor 2-5-Difluoro-7,7,8,8-Tetracyanoquinodimethane},journal={{ACS} Applied Energy Materials},}
AM
Enabling Superior Sodium Capture for Efficient Water Desalination by a Tubular Polyaniline Decorated with Prussian Blue Nanocrystals
Wenhui Shi†, Xiaoyue Liu†, Tianqi Deng†, and 12 more authors
@article{Shi_2020b,doi={10.1002/adma.201907404},year={2020},month=jul,publisher={Wiley},volume={32},number={33},author={Shi, Wenhui and Liu, Xiaoyue and Deng, Tianqi and Huang, Shaozhuan and Ding, Meng and Miao, Xiaohe and Zhu, Chongzhi and Zhu, Yihan and Liu, Wenxian and Wu, Fangfang and Gao, Congjie and Yang, Shuo-Wang and Yang, Hui Ying and Shen, Jiangnan and Cao, Xiehong},title={Enabling Superior Sodium Capture for Efficient Water Desalination by a Tubular Polyaniline Decorated with Prussian Blue Nanocrystals},journal={Advanced Materials},}
Adv.Theo.Sim.
The Role of Electrostatic Interaction between Free Charge Carriers and Counterions in Thermoelectric Power Factor of Conducting Polymers: From Crystalline to Polycrystalline Domains
Wen Shi, Erol Yildirim, Gang Wu, and 5 more authors
@article{Shi_2020a,doi={10.1002/adts.202000015},year={2020},month=apr,publisher={Wiley},volume={3},number={6},author={Shi, Wen and Yildirim, Erol and Wu, Gang and Wong, Zicong Marvin and Deng, Tianqi and Wang, Jian-Sheng and Xu, Jianwei and Yang, Shuo-Wang},title={The Role of Electrostatic Interaction between Free Charge Carriers and Counterions in Thermoelectric Power Factor of Conducting Polymers: From Crystalline to Polycrystalline Domains},journal={Advanced Theory and Simulations},}
2019
AM
Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small-Molecule Organic Semiconductors
@article{Shi_2019,doi={10.1002/adma.201901956},year={2019},month=jul,publisher={Wiley},volume={31},number={36},author={Shi, Wen and Deng, Tianqi and Wu, Gang and Hippalgaonkar, Kedar and Wang, Jian-Sheng and Yang, Shuo-Wang},title={Unprecedented Enhancement of Thermoelectric Power Factor Induced by Pressure in Small-Molecule Organic Semiconductors},journal={Advanced Materials},}
AElM
2D Single-Layer \pi-Conjugated Nickel Bis(dithiolene) Complex: A Good-Electron-Poor-Phonon Thermoelectric Material
Tianqi Deng, Xue Yong, Wen Shi, and 8 more authors
@article{Deng_2019,doi={10.1002/aelm.201800892},year={2019},month=mar,publisher={Wiley},volume={5},number={4},pages={1800892},author={Deng, Tianqi and Yong, Xue and Shi, Wen and Gan, Chee Kwan and Li, Wu and Hippalgaonkar, Kedar and Zheng, Jin-Cheng and Wang, Xiaobai and Yang, Shuo-Wang and Wang, Jian-Sheng and Wu, Gang},title={2D Single-Layer $\pi$-Conjugated Nickel Bis(dithiolene) Complex: A Good-Electron-Poor-Phonon Thermoelectric Material},journal={Advanced Electronic Materials},}
2018
ACS AMI
Orbital-Engineering-Based Screening of \pi-Conjugated d8 Transition-Metal Coordination Polymers for High-Performance n-Type Thermoelectric Applications
@article{Shi_2018,doi={10.1021/acsami.8b13877},year={2018},month=sep,publisher={American Chemical Society ({ACS})},volume={10},number={41},pages={35306--35315},author={Shi, Wen and Wu, Gang and Yong, Xue and Deng, Tianqi and Wang, Jian-Sheng and Zheng, Jin-Cheng and Xu, Jianwei and Sullivan, Michael B. and Yang, Shuo-Wang},title={Orbital-Engineering-Based Screening of $\pi$-Conjugated d8 Transition-Metal Coordination Polymers for High-Performance n-Type Thermoelectric Applications},journal={{ACS} Applied Materials {\&}amp$\mathsemicolon$ Interfaces},}
2015
Orbital-dependent Electron-Hole Interaction in Graphene and Associated Multi-Layer Structures