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Formation of the Calcium/Poly(3-Hexylthiophene) Interface: Structure and Energetics
Zhu, Junfa, Bebensee, Fabian, Hieringer, Wolfgang, Zhao, Wei, Baricuatro, Jack H, Farmer, Jason A, Bai, Yun, Steinrück, Hans-Peter, Gottfried, J. Michael, Campbell, Charles T
Published in Journal of the American Chemical Society (23.09.2009)
Published in Journal of the American Chemical Society (23.09.2009)
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Elimination of the charge effect on zirconia coatings using a focused ion beam for characterization of the three-dimensional microstructure
Song, Xuemei, Zhang, Jimei, Jiang, Caifen, Liu, Ziwei, Zheng, Wei, Lin, Chucheng, Zeng, Yi
Published in Materials characterization (01.03.2022)
Published in Materials characterization (01.03.2022)
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Theoretical investigation of a C2N monolayer as a bifunctional electrocatalyst for rechargeable non-aqueous Li–air batteries
Das, Priya, Ghosh, Atish, Goswami, Biplab, Sarkar, Pranab
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2025)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (2025)
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The spontaneous symmetry breaking in Ta2NiSe5 is structural in nature
Baldini, Edoardo, Zong, Alfred, Choi, Dongsung, Lee, Changmin, Michael, Marios H, Windgaetter, Lukas, Mazin, Igor I, Latini, Simone, Azoury, Doron, Lv, Baiqing, Kogar, Anshul, Su, Yifan, Wang, Yao, Lu, Yangfan, Takayama, Tomohiro, Takagi, Hidenori, Millis, Andrew J, Rubio, Angel, Demler, Eugene, Gedik, Nuh
Published in Proceedings of the National Academy of Sciences - PNAS (25.04.2023)
Published in Proceedings of the National Academy of Sciences - PNAS (25.04.2023)
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Recent Advances in Theoretical and Computational Modeling of Composite Materials and Structures
Year of Publication 2022
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A first-principles investigations of Lead-free SbPCa3 inverse perovskite for structural, electronic and optical properties with different DFT methods
Ahmed, Muhammad, Bakar, Abu, Erik O., Shalenov, Madina M., Seisembayeva, Dzhumagulova, Karlygash N., Quader, Abdul
Published in Physica. B, Condensed matter (01.10.2024)
Published in Physica. B, Condensed matter (01.10.2024)
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Computation of Dielectric Response in Molecular Solids for High Capacitance Organic Dielectrics
Heitzer, Henry M, Marks, Tobin J, Ratner, Mark A
Published in Accounts of chemical research (20.09.2016)
Published in Accounts of chemical research (20.09.2016)
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Electronic and magnetic properties of Ag-doped monolayer WS2 by stain
Chen, Peng, Zhao, Xu, Wang, Tianxing, Dai, Xianqi, Xia, Congxin
Published in Journal of alloys and compounds (25.09.2016)
Published in Journal of alloys and compounds (25.09.2016)
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Frustrated Triangular Magnetic Structures of Mn3ZnN: Applications in Thermal Expansion
Deng, Sihao, Sun, Ying, Wang, Lei, Shi, Zaixing, Wu, Hui, Huang, Qingzhen, Yan, Jun, Shi, Kewen, Hu, Pengwei, Zaoui, Ali, Wang, Cong
Published in Journal of physical chemistry. C (05.11.2015)
Published in Journal of physical chemistry. C (05.11.2015)
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Novel high-pressure structure and superconductivity of titanium trisulfide
Zhong, Xin, Zhang, Miao, Yang, Lili, Qu, Xin, Yang, Lihua, Yang, Jinghai, Liu, Hanyu
Published in Computational materials science (15.02.2019)
Published in Computational materials science (15.02.2019)
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First principles study of nearly strain-free Ni/WSe2 and Ni/MoS2 interfaces
Stollenwerk, Andrew J, Stuelke, Lukas, Margaryan, Lilit, Kidd, Timothy E, Lukashev, Pavel V
Published in Journal of physics. Condensed matter (20.10.2021)
Published in Journal of physics. Condensed matter (20.10.2021)
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First principles study of nearly strain-free Ni/WSe2and Ni/MoS2interfaces
Stollenwerk, Andrew J, Stuelke, Lukas, Margaryan, Lilit, Kidd, Timothy E, Lukashev, Pavel V
Published in Journal of physics. Condensed matter (01.10.2021)
Published in Journal of physics. Condensed matter (01.10.2021)
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Role of the Li+ node in the Li-BH4 substructure of double-cation tetrahydroborates
Schouwink, Pascal, Smrcok, ubomír, Cerny, Radovan
Published in Acta crystallographica. Section B, Structural science (01.10.2014)
Published in Acta crystallographica. Section B, Structural science (01.10.2014)
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A unique electronic state in a ferromagnetic semiconductor FeCl2 monolayer
Lu, Di, Liu, Lu, Ma, Yaozhenghang, Yang, Ke, Wu, Hua
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (01.01.2022)
Published in Journal of materials chemistry. C, Materials for optical and electronic devices (01.01.2022)
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