C60 building blocks with tuneable structures for tailored functionalities by Darius Kayley, Bo Peng

Subjects: “…Electronic structures…”
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Study of Rutile TiO2 band structures and optical properties using Density functional theory (DFT) by Rafea A. Munef, Abdulhadi M. Ghaleb, Ahmed Th. Shihatha

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Topological surface states of semimetal TaSb2 by Ji-Eun Lee, Yu Liu, Jinwoong Hwang, Choongyu Hwang, Cedomir Petrovic, Se Young Park, Hyejin Ryu, Sung-Kwan Mo

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Se‐Assisted Modulation of Electronic Structure of Ruthenium Phosphide Nanotubes for Efficient Alkaline Hydrogen Evolution Reaction by Yongju Hong, Eunsoo Lee, Jae Hun Seol, Tae Kyung Lee, Songa Choi, Seong Chan Cho, Taekyung Kim, Hionsuck Baik, Sangyeon Jeong, Sung Jong Yoo, Sang Uck Lee, Kwangyeol Lee

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MoS₂ BAND GAP MODIFICATION UPON REPLACEMENT OF SULFUR ATOMS BY TELLURIUM ONES by A. V. Krivosheeva, V. L. Shaposhnikov, V. E. Borisenko

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A DFT Study on Electronic and Structural Properties of Graphene Nanoribbons by I.K. Petrushenko

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Te Vacancy‐Driven Anomalous Transport in ZrTe5 and HfTe5 by Elizabeth A. Peterson, Christopher Lane, Jian‐Xin Zhu

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An <i>Ab Initio</i> Electronic Structure Investigation of the Ground and Excited States of ScH⁺, YH⁺, and LaH⁺ by Isuru R. Ariyarathna

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Machine learning discovery of the dielectric properties of strontium-containing condensed matter by Dongyang Huang, Jiaxing Fu, Chenghao Yu

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Mathematical Simulation of Graphene With Modified c-c Bond Length and Transfer Energy by P.A. Alvi, S.Z. Hashmi, S. Dalela, F. Rahman

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First-principles Calculation and Analysis of Piezoelectric Properties of Sn-doped Barium Titanate Ceramics by WANG Wanru, LI Caixia, MA Xiaoxuan, LI Chenglong, JI Nan, LI Tianqi

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Superconductivity in Ternary Mg4Pd7As6 by Hanna Świątek, Sylwia Gutowska, Michał J. Winiarski, Bartlomiej Wiendlocha, Tomasz Klimczuk

Subjects: “…electronic structure…”
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The Air Stability of Sodium Layered Oxide NaTMO₂ (100) Surface Investigated via DFT Calculations by Hui Li, Qing Xue, Shengyi Li, Xuechun Wang, Yijie Hou, Chang Sun, Cun Wang, Guozheng Sheng, Peng Sheng, Huitao Bai, Li Xu, Yumin Qian

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[Palladium-decabismuth(4+)]-tetrakis(tetrachloridoaluminate) Cluster Compound, [Pd@Bi₁₀][AlCl₄]₄: Synthesis, Crystal Structure, and Electronic Stru... by S. M. Gayomi K. Samarakoon, Sviatoslav Baranets

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Electronic Structures of Molecular Beam Epitaxially Grown SnSe₂ Thin Films on <inline-formula><math display="inline"><semantics><mrow><msqrt><mn mathvariant="bold">3</mn... by Zhujuan Li, Qichao Tian, Kaili Wang, Yuyang Mu, Zhenjie Fan, Xiaodong Qiu, Qinghao Meng, Can Wang, Yi Zhang

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Modern Interpretation of Periodic Phenomenon by G. N. Fadeev, Yu. A. Lebedev, N. N. Dvulichanskaya

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RECONSTRUCTION OF DIVACANCY IN ZIGZAG-BUCKLED SILICENE NANORIBBONS by Van Chinh Ngo, Nguyen Huu Hanh Pham, Thi Kim Quyen Nguyen, Thi Kim Loan Phan, Thanh Tra Vu

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Te-Modulated Fe Single Atom with Synergistic Bidirectional Catalysis for High-Rate and Long–Cycling Lithium-Sulfur Battery by Jian Guo, Lu Chen, Lijun Wang, Kangfei Liu, Ting He, Jia Yu, Hongbin Zhao

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Band gap engineering and electronic structure of Cu2Ni(Sn,Ge,Si)Se4 kesterites: A DFT perspective on new earth-abundant semiconductors for high-performance photovoltaics by Iskandar Raufov, Dilshod Nematov, Saidjaafar Murodzoda, Anushervon Ashurov, Sakhidod Sattorzoda

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Macroscopic Structural Transition of Nickel Dithiolate Capsule with Uniaxial Magnetic Anisotropy in Water by Tomoko Fujino, Mafumi Hishida, Masatoshi Ito, Toshikazu Nakamura, Mizue Asada, Naoya Kurahashi, Hisao Kiuchi, Yoshihisa Harada, Koji Harano, Rie Makiura, Kanokwan Jumtee Takeno, So Yokomori, Hiroshi Oike, Hatsumi Mori

Subjects: “…electronic structure…”
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