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Thomas Frauenheim

Constructor University

100H-index
939Paper Count
4.7WCitation Count
Published Papers 325
Publication Date
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Achieving non-degenerate sliding ferroelectricity via band-edge pinning: an instructive design principle for controllable photocatalysis and photovoltaics
errnpj Computational Materials
IF11.9
err2026-05-26
err0
errOAAI
errQiang Wang; Kai Kong; Keying Han; Yixuan Li; Yitong Liang; Xingshuai Lv; Thomas Frauenheim; Defeng Guo; Bin Wang
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Dynamics of CO photooxidation to CO2 on rutile (110)
errCommunications Chemistry
IF6.2
err2026-03-10
err0
errOAAI
errHelena Gleissner; Michael Wagstaffe; Lukas Wenthaus; Adrian Domínguez-Castro; Verena Gupta; Simon Chung; Steffen Palutke; Siarhei Dziarzhytski; Dmytro Kutnyakhov; Michael Heber; Günter Brenner; Harald Redlin; Federico Pressacco; Adriel Domínguez Garcia; Thomas Frauenheim; Heshmat Noei; Andreas Stierle
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Asymmetric Spin Canting and Demagnetization Dynamics Driven by Laser Fields in Two-Dimensional Altermagnets
errNano Letters
IF9.1
err2026-02-09
err0
errOAAI
errShuo Li; Ran Wang; Thomas Frauenheim; Zhaobo Zhou; Junjie He
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Laser-Induced Ultrafast Magnetic Phase Transition in 2D Van Der Waals Antiferromagnetic Heterostructures
errADVANCED SCIENCE
IF14.1
err2026-01-01
err0
errOAAI
errWu, Yang; Zheng, Fulu; Guo, San-Dong; Frauenheim, Thomas; Zhou, Zhaobo; He, Junjie
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Phase-Engineered Non-Degenerate Sliding Ferroelectricity Enables Tunable Photovoltaics in Monolayer Janus In2S2Se
errAdvanced Science
IF14.1
err2025-12-14
err0
errOAAI
errYixuan Li; Qiang Wang; Keying Han; Yitong Liang; Kai Kong; Yan Liang; Thomas Frauenheim; Xingshuai Lv; Defeng Guo; Bin Wang
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Control of CO2 Electrocatalysis via Modularly Customizable Graphdiyne
errJournal of the American Chemical Society
IF15.6
err2025-11-05
err0
PREAI
errXinliang Fu; Xiangyu Guo; Pengyu Shi; Thomas Frauenheim; Kostya S. Novoselov; Mingjian Yuan; Mei Wang
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Ultrafast Spin Dynamics in 2D Fully Compensated Ferrimagnets: A Time-Dependent Ab Initio Study
errThe Journal of Physical Chemistry Letters
IF0
err2025-10-17
err0
errOAAI
errShuo Li; Ran Wang; Thomas Frauenheim; Sandong Guo; Zhaobo Zhou; Junjie He
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In Hot Pursuit: Tracking Ionic and Phononic Heat Carriers in Li3OCl Across Temperatures
errJ. Mater. Chem. A
IF9.5
err2025-10-04
err0
PREAI
errYatian Zhang; Thomas Frauenheim; Traian Dumitrica; Zhen Tong
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Transformation of CO2 to C2+ alcohols by tailoring the oxygen bonding via Fe-based tandem catalyst
errNature Communications
IF15.7
err2025-08-06
err0
errOAAI
errWenhang Wang; Xiangyu Guo; Yang Wang; Simin Lin; Xinhua Gao; Jie Liang; Jinqiang Zhang; Jinghao Xie; Hu Jiang; Fengliang Cao; Yongjie Chen; Guohui Yang; Thomas Frauenheim; Mingqing Wang; Tao Xing; Yiwu Lu; Qiang Liu; Kostya S. Novoselov; Noritatsu Tsubaki; Mingbo Wu
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Hybrid Functional DFTB Parametrizations for Modeling Organic Photovoltaic Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-05-08
err0
errOAAI
errSun, Wenbo; van der Heide, Tammo; Vuong, Van-Quan; Frauenheim, Thomas; Sentef, Michael A.; Aradi, Balint; Lien-Medrano, Carlos R.
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Layered Germanium-Selenium Compounds as Phonon-Glass Electron-Crystals: A Pathway to Enhance the Thermoelectric Performance
errNANO LETTERS
IF9.1
err2025-04-25
err0
PREAI
errTong, Zhen; Zhang, Yatian; Frauenheim, Thomas
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How does the heteroatoms doping regulate the oxygen electrocatalysis performance of single atom catalysts?
errMOLECULAR CATALYSIS
IF4.9
err2025-03-01
err0
PREAI
errXie, Kun; Lin, Long; Wang, Pengtao; Shi, Pei; Huang, Weiguang; Guo, Xiangyu; Zhang, Shengli; He, Chaozheng; Frauenheim, Thomas
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Quantum Dynamics of Charge Carriers in Fullerenes Encapsulated by Covalent Organic Polyhedra: Choice of Fullerene Matters
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2025-02-28
err0
errOAAI
errMondal, Shrabanti; Chowdhury, Uttam; Habib, Md; Gumber, Shriya; Das, Ranjan; Frauenheim, Thomas
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Exciton-dominated long carrier relaxation in photoexcited monolayer Cu2Se on Cu(111)
errPHYSICAL REVIEW B
IF3.7
err2025-02-24
err1
PREAI
errWang, Xinyue; Liu, Qi; Bandyopadhyay, Arkamita; Lu, Jiahua; Yan, Yu; Li, Yao; Zhang, Yilin; Yan, Pengfei; Xu, Yongkang; He, Liang; Wu, Jing; Frauenheim, Thomas; Zhang, Rong; Xu, Yongbing; Lu, Xianyang
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Ultrafast Nonadiabatic Electron Relaxation Dynamics in Photoexcited C60 Molecules
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2025-02-20
err0
errOAAI
errAli, Esam; Madjet, Mohamed El-Amine; De, Ruma; Wholey, Matthew B.; Frauenheim, Thomas; Chakraborty, Himadri S.
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Unlocking high hole mobility in diamond over a wide temperature range via efficient shear strain
errAPPLIED PHYSICS REVIEWS
IF11.6
err2025-02-04
err1
errOAAI
errSun, Jianshi; Li, Shouhang; Shao, Cheng; Tong, Zhen; An, Meng; Yao, Yuhang; Hu, Yue; Zhu, Xiongfei; Liu, Yifan; Wang, Renzong; Liu, Xiangjun; Frauenheim, Thomas
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Platinum modification of metallic cobalt defect sites for efficient electrocatalytic oxidation of 5-hydroxymethylfurfural
errJOURNAL OF ENERGY CHEMISTRY
IF14.9
err2025-02-01
err0
PREAI
errZhan, Haoyu; Cheng, Baixue; Lu, Yankun; Xing, Danning; Lv, Xingshuai; Huang, Huining; Frauenheim, Thomas; Wang, Tao; Zhou, Peng
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Sliding ferroelectric controllable topological phases in the Bi2Te3/MnBi2Te4 heterobilayer
errPHYSICAL REVIEW B
IF3.7
err2025-01-24
err1
PREAI
errLiang, Yan; Zhao, Pei; Zheng, Fulu; Frauenheim, Thomas
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Intrinsic interlayer electric field induced switched regulatory mechanisms of photovoltaics and photocatalysis in Z-scheme In2Se3/Sb heterobilayers
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2025-01-01
err0
PREAI
errWang, Qiang; Han, Keying; Liang, Yan; Lv, Xingshuai; Meng, Xiangrong; Wang, Sheng; Frauenheim, Thomas; Guo, Defeng; Wang, Bin
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Engineering Magnetic Heterostructures with Synergistic Regulation of Charge-Transfer and Spin-Ordering for Enhanced Water Oxidation
errADVANCED SCIENCE
IF14.1
err2024-11-26
err0
errOAAI
errHao, Chongyan; Wu, Yang; Zheng, Xiaobo; Du, Yumeng; Fan, Yameng; Pang, Weikong; Tadich, Anton; Zhang, Shujun; Frauenheim, Thomas; Ma, Tianyi; Li, Xiaoning; Cheng, Zhenxiang
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Research Directions

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Co-authors
Cooperation Journals
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Xinliang Feng
H-index: 183 · Papers: 1.6K
K
Klaus Schulten
H-index: 145 · Papers: 718
S
Stefan Grimme
H-index: 136 · Papers: 1.5K
王
王双印 (Shuangyin Wang)
H-index: 134 · Papers: 587
M
Mauricio Terrones
H-index: 131 · Papers: 1.0K
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