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Direct visualization of stacking-selective self-intercalation in epitaxial Nb1+xSe2 films.
In: Nature Communications, 15 (1)
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Yue, Jincheng ; Liu, Yanhui ; Ren, Wenling ; Lin, Shuyao ; Shen, Chen ; Kumar Singh, Harish ; Cui, Tian ; Tadano, Terumasa ; Zhang, Hongbin (2024)
Role of atypical temperature-responsive lattice thermal transport on the thermoelectric properties of antiperovskites Mg3XN (X = P, As, Sb, Bi).
In: Materials Today Physics, 41
doi: 10.1016/j.mtphys.2024.101340
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Yu, Linfeng ; Xu, Jianhua ; Shen, Chen ; Zhang, Hongbin ; Zheng, Xiong ; Wang, Huimin ; Qin, Zhenzhen ; Qin, Guangzhao (2024)
Janus graphene: a two-dimensional half-auxetic carbon allotrope with a nonchemical Janus configuration.
In: Physical Review B, 109 (12)
doi: 10.1103/PhysRevB.109.L121402
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Chen, Furong ; Shen, Chen ; Zhu, Yi ; Liu, Yidan ; Zhou, Difan ; Huang, Lei ; Shi, Liyi ; Zhang, Hongbin ; Cao, Shixun ; Jia, Rongrong (2024)
Magnetic field enhanced surface reconstruction of Fe2P and the promotional effect in electrochemical oxygen evolution.
In: Applied Surface Science, 653
doi: 10.1016/j.apsusc.2024.159357
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Xu, Dan ; Shen, Chen ; Liu, Xingmin ; Xie, Wenjie ; Ding, Hui ; Widenmeyer, Marc ; Mellin, Maximilian ; Qu, Fangmu ; Rashid, Aasir ; Chen, Guoxing ; Ionescu, Emanuel ; Zhang, Ye Shui ; Molina-Luna, Leopoldo ; Hofmann, Jan P. ; Brett, Dan J. L. ; Zhang, Hongbin ; Weidenkaff, Anke (2023)
Efficient transformation of plastic wastes to H2 and electromagnetic nanocarbon absorbents over molecular-level engineered 3D NiCo/MnO.
In: Chemical Engineering Journal, 476
doi: 10.1016/j.cej.2023.146477
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Hu, Kun ; Xie, Ruiwen ; Shen, Chen ; Peng, Hailong ; Liu, Huashan ; Zhang, Hongbin (2023)
High-throughput design of Co-based magnetic Heusler compounds.
In: Acta Materialia, 259
doi: 10.1016/j.actamat.2023.119255
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Liu, Xingmin ; Ding, Hui ; Shen, Chen ; Xu, Dan ; Yan, Ruijuan ; Xie, Wenjie ; Widenmeyer, Marc ; Ionescu, Emanuel ; Zhang, Hongbin ; Weidenkaff, Anke (2023)
Post-consumer plastics/Co Mn3–O4 spinels derived Co/MnO@carbon nanotube composites towards advanced electromagnetic absorbents.
In: Carbon, 213
doi: 10.1016/j.carbon.2023.118273
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Rodriguez, Alejandro ; Lin, Changpeng ; Shen, Chen ; Yuan, Kunpeng ; Al-Fahdi, Mohammed ; Zhang, Xiaoliang ; Zhang, Hongbin ; Hu, Ming (2023)
Unlocking phonon properties of a large and diverse set of cubic crystals by indirect bottom-up machine learning approach.
In: Communications Materials, 4 (1)
doi: 10.1038/s43246-023-00390-3
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Xiao, Xingxing ; Xie, Wenjie ; Philippi, Kai ; Liu, Yamei ; Skokov, Konstantin ; Radulov, Iliya Angelov ; Widenmeyer, Marc ; Kovalevsky, Andrei ; Shen, Chen ; Zhang, Hongbin ; Checchia, Stefano ; Scavini, Marco ; He, Jian ; Weidenkaff, Anke (2023)
Anomalous thermal conductivity of alkaline-earth-metal-substituted EuTiO3 induced by resonant scattering.
In: Materials Today Physics, 35
doi: 10.1016/j.mtphys.2023.101132
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Kubitza, Niels ; Xie, Ruiwen ; Tarasov, Ivan ; Shen, Chen ; Zhang, Hongbin ; Wiedwald, Ulf ; Birkel, Christina S. (2023)
Microwave-Assisted Synthesis of the New Solid-Solution (V1–xCrx)2GaC (0 ≤ x ≤ 1), a Pauli Paramagnet Almost Matching the Stoner Criterion for x = 0.80.
In: Chemistry of Materials, 35 (11)
doi: 10.1021/acs.chemmater.3c00591
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Shen, Chen ; Dai, Mian ; Xiao, Xingxing ; Hadaeghi, Niloofar ; Xie, Wenjie ; Weidenkaff, Anke ; Tadano, Terumasa ; Zhang, Hongbin (2023)
Impact of quartic anharmonicity on lattice thermal transport in EuTiO3: A comparative theoretical and experimental investigation.
In: Materials Today Physics, 34
doi: 10.1016/j.mtphys.2023.101059
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Yan, Ruijuan ; Shen, Chen ; Widenmeyer, Marc ; Luo, Ting ; Winkler, Robert ; Adabifiroozjaei, Esmaeil ; Xie, Ruiwen ; Yoon, Songhak ; Suard, Emmanuelle ; Molina-Luna, Leopoldo ; Zhang, Hongbin ; Xie, Wenjie ; Weidenkaff, Anke (2023)
The role of interstitial Cu on thermoelectric properties of ZrNiSn half-Heusler compounds.
In: Materials Today Physics, 33
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Shen, Chen (2023)
Designing Functional Materials Driven by the Lattice Degree of Freedom.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00023665
Dissertation, Erstveröffentlichung, Verlagsversion

Wang, Honglei ; Jiao, Yunfei ; Wu, Bing ; Wang, Dong ; Hu, Yueqi ; Liang, Fei ; Shen, Chen ; Knauer, Andrea ; Ren, Dan ; Wang, Hongguang ; Aken, Peter A. van ; Zhang, Hongbin ; Sofer, Zdenek ; Grätzel, Michael ; Schaaf, Peter (2023)
Exfoliated 2D Layered and Nonlayered Metal Phosphorous Trichalcogenides Nanosheets as Promising Electrocatalysts for CO₂ Reduction.
In: Angewandte Chemie International Edition, 2023, 62 (17)
doi: 10.26083/tuprints-00023692
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Shen, Chen ; Samathrakis, Ilias ; Hu, Kun ; Singh, Harish K. ; Fortunato, Nuno ; Liu, Huashan ; Gutfleisch, Oliver ; Zhang, Hongbin (2022)
Thermodynamical and topological properties of metastable Fe3Sn.
In: npj Computational Materials, 8 (248)
doi: 10.1038/s41524-022-00917-1
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Pusterla, Julio ; Scoppola, Ernesto ; Appel, Christian ; Mukhina, Tetiana ; Shen, Chen ; Brezesinski, Gerald ; Schneck, Emanuel (2022)
Characterization of lipid bilayers adsorbed to functionalized air/water interfaces.
In: Nanoscale, (Early Access)
doi: 10.1039/D2NR03334H
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Zhang, Mao-Hua ; Shen, Chen ; Zhao, Changhao ; Dai, Mian ; Yao, Fang-Zhou ; Wu, Bo ; Ma, Jina ; Nan, Hu ; Wang, Dawei ; Yuan, Qibin ; Silva, Lucas Lemos da ; Fulanovic, Lovro ; Schöckel, Alexander ; Liu, Peitao ; Zhang, Hongbin ; Li, Jing-Feng ; Wang, Ke ; Rödel, Jürgen ; Hinterstein, Manuel (2022)
Deciphering the phase transition-induced ultrahigh piezoresponse in (K,Na)NbO3-based piezoceramics.
In: Nature communications, 13
doi: 10.1038/s41467-022-31158-x
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Reitz, Andreas ; Pazniak, Hanna ; Shen, Chen ; Singh, Harish K. ; Jayanthi, K. ; Kubitza, Niels ; Navrotsky, Alexandra ; Zhang, Hongbin ; Wiedwald, Ulf ; Birkel, Christina S. (2022)
Cr3GeN: A Nitride with Orthorhombic Antiperovskite Structure.
In: Chemistry of Materials, 34 (23)
doi: 10.1021/acs.chemmater.2c01524
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Chang, Zheng ; Liu, Ke ; Sun, Zhehao ; Yuan, Kunpeng ; Cheng, Shuwen ; Gao, Yufei ; Zhang, Xiaoliang ; Shen, Chen ; Zhang, Hongbin ; Wang, Ning ; Tang, Dawei (2022)
First-principles investigation of the significant anisotropy and ultrahigh thermoelectric efficiency of a novel two-dimensional Ga₂I₂S₂ at room temperature.
In: International Journal of Extreme Manufacturing, 2022, 4 (2)
doi: 10.26083/tuprints-00021121
Artikel, Zweitveröffentlichung, Verlagsversion

Sinclair, Jordan ; Siebert, Jan P. ; Juelsholt, Mikkel ; Shen, Chen ; Zhang, Hongbin ; Birkel, Christina S. (2022)
Sol Gel-Based Synthesis of the Phosphorus-Containing MAX Phase V2PC.
In: Inorganic Chemistry, 61 (43)
doi: 10.1021/acs.inorgchem.2c02880
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Samathrakis, Ilias ; Fortunato, Nuno ; Singh, Harish K. ; Shen, Chen ; Zhang, Hongbin (2022)
Tunable anomalous Hall and Nernst effects in MM′X compounds.
In: Journal of Physics: Condensed Matter, 2022, 51 (2)
doi: 10.26083/tuprints-00022862
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Wang, Xiaolian ; Feng, Wei ; Shen, Chen ; Sun, Zhehao ; Qi, Hangbo ; Yang, Mao ; Liu, Yonghui ; Wu, Yuchen ; Wu, Xiaoqiang (2022)
The Verification of Thermoelectric Performance Obtained by High-Throughput Calculations: The Case of GeS₂ Monolayer From First-Principles Calculations.
In: Frontiers in Materials, 2022, 8
doi: 10.26083/tuprints-00020127
Artikel, Zweitveröffentlichung, Verlagsversion

Shen, Chen ; Hadaeghi, Niloofar ; Singh, Harish K. ; Long, Teng ; Fan, Ling ; Qin, Guangzhao ; Zhang, Hongbin (2021)
Two-dimensional buckling structure induces the ultra-low thermal conductivity: a comparative study of the group GaX (X = N, P, As).
In: Journal of Materials Chemistry C
doi: 10.1039/D1TC04531H
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Wang, Ning ; Gong, Hengfeng ; Sun, Zhehao ; Shen, Chen ; Li, Bingke ; Xiao, Haiyan ; Zu, Xiaotao ; Tang, Dawei ; Yin, Zongyou ; Wu, Xiaoqiang ; Zhang, Hongbin ; Qiao, Liang (2021)
Boosting Thermoelectric Performance of 2D Transition-Metal Dichalcogenides by Complex Cluster Substitution: The Role of Octahedral Au6 Clusters.
In: ACS Applied Energy Materials, 4 (11)
doi: 10.1021/ACSAEM.1C01777
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Yan, Ruijuan ; Xie, Ruiwen ; Xie, Wenjie ; Shen, Chen ; Li, Wei ; Balke, Benjamin ; Yoon, Songhak ; Zhang, Hongbin ; Weidenkaff, Anke (2021)
Effects of Doping Ni on the Microstructures and Thermoelectric Properties of Co-Excessive NbCoSn Half-Heusler Compounds.
In: ACS Applied Materials & Interfaces, 13 (29)
doi: 10.1021/acsami.1c08127
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Xiao, Yi ; Shen, Chen ; Hadaeghi, Niloofar (2021)
Quantum Mechanical Screening of 2D MBenes for the Electroreduction of CO2 to C1 Hydrocarbon Fuels.
In: The Journal of Physical Chemistry Letters, 12 (27)
doi: 10.1021/acs.jpclett.1c01499
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Shen, Chen ; Hu, Kun ; Fan, Ling ; Zhang, Hongbin (2021)
Thermodynamic Reassessment of the Au-In Binary System Supported with First-Principles Calculations.
In: Journal of Phase Equilibria and Diffusion, 42 (4)
doi: 10.1007/s11669-021-00910-z
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Singh, Harish K. ; Samathrakis, Ilias ; Fortunato, Nuno M. ; Zemen, Jan ; Shen, Chen ; Gutfleisch, Oliver ; Zhang, Hongbin (2021)
Multifunctional antiperovskites driven by strong magnetostructural coupling.
In: npj Computational Materials, 7
doi: 10.1038/s41524-021-00566-w
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Fan, Ling ; Shen, Chen ; Hu, Kun ; Liu, Huashan ; Zhang, Hongbin (2021)
DFT Calculations and Thermodynamic Re-Assessment of the Fe-Y Binary System.
In: Journal of Phase Equilibria and Diffusion, 42 (3)
doi: 10.1007/s11669-021-00887-9
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Xiao, Yi ; Shen, Chen ; Long, Teng (2021)
Theoretical Establishment and Screening of an Efficient Catalyst for N2 Electroreduction on Two-Dimensional Transition-Metal Borides (MBenes).
In: Chemistry of Materials, 33 (11)
doi: 10.1021/acs.chemmater.1c00424
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Xiao, Yi ; Shen, Chen (2021)
Transition‐Metal Borides (MBenes) as New High‐Efficiency Catalysts for Nitric Oxide Electroreduction to Ammonia by a High‐Throughput Approach.
In: Small, 17 (24)
doi: 10.1002/smll.202100776
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Qi, Hangbo ; Sun, Zhehao ; Wang, Ning ; Qin, Guangzhao ; Zhang, Hongbin ; Shen, Chen (2021)
Two-dimensional Al2I2Se2: A promising anisotropic thermoelectric material.
In: Journal of Alloys and Compounds, 876
doi: 10.1016/j.jallcom.2021.160191
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Xiao, Yi ; Shen, Chen (2021)
Predicted Electrocatalyst Properties on Metal Insulator MoTe2 for Hydrogen Evolution Reaction and Oxygen Reduction Reaction Application in Fuel Cells.
In: Energy & Fuels, 35 (9)
doi: 10.1021/acs.energyfuels.1c00814
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Shen, Chen ; Gao, Qiang ; Fortunato, Nuno M. ; Singh, Harish K. ; Opahle, Ingo ; Gutfleisch, Oliver ; Zhang, Hongbin (2021)
Designing of magnetic MAB phases for energy applications.
In: Journal of Materials Chemistry A, 9 (13)
doi: 10.1039/D0TA11026D
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Xiao, Yi ; Tang, Li ; Zhang, Weibin ; Shen, Chen (2021)
Theoretical insights into the selective and activity of CuAu catalyst for O2 and CO2 electroreduction.
In: Computational Materials Science, 192
doi: 10.1016/j.commatsci.2021.110402
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Long, Teng ; Fortunato, Nuno M. ; Opahle, Ingo ; Zhang, Yixuan ; Samathrakis, Ilias ; Shen, Chen ; Gutfleisch, Oliver ; Zhang, Hongbin (2021)
Constrained crystals deep convolutional generative adversarial network for the inverse design of crystal structures.
In: npj Computational Materials, 7 (66)
doi: 10.1038/s41524-021-00526-4
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Zhang, Yixuan ; Shen, Chen ; Long, Teng ; Zhang, Hongbin (2020)
Thermal conductivity of h-BN monolayers using machine learning interatomic potential.
In: Journal of Physics: Condensed Matter, 33 (10)
doi: 10.1088/1361-648X/abcf61
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