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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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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THE INFLUENCE OF DEFECTS ON THE ELECTRONIC PROPERTIES OF STRUCTURES OF LAYERED DICHALCOGENIDES OF REFRACTORY METALS by A. V. Krivosheeva, V. L. Shaposhnikov, A. Yu. Alexeev

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

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XPS study and electronic structure of non-doped and Cr+ ion implanted CuO thin films by Katarzyna Ungeheuer, Amelia E. Bocirnea, Konstanty W. Marszalek, Waldemar Tokarz, Denis A. Pikulski, Zbigniew Kąkol, Aurelian C. Galca

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Emergent B2 chemical orderings in the AlTiVNb and AlTiCrMo refractory high-entropy superalloys studied via first-principles theory and atomistic modelling by Christopher D Woodgate, Hubert J Naguszewski, David Redka, Ján Minár, David Quigley, Julie B Staunton

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Research progress on activity regulation strategy of catalysts for hydrogenation saturation of polycyclic aromatic hydrocarbons by Jieying JING, Tao TIAN, Yu ZHANG, Wenying LI

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Vacancy Formation and Clustering Behavior in <i>δ</i>-MoN: A Systematic Density Functional Theory Study by Jing Yu, Keda Wang

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First-Principles Study on the Migration and Release Properties of Xe on the Surface of Uranium Mononitride by Tianhao Rui, Yulin Lan, Zhuangzhuang Ma, Linyuan Lu, Yunhao Wang, Yang Yu, Mingxuan Deng, Tianxing Lan, Zhekang Zhao, Junjie Wang, Congyi Li, Haibin Zhang

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Computational insights into the electronic, chemical, and thermodynamic properties of borazine and its derivatives by S. Haque, M.A. Rahman, M.A.M. Islam, A. Hossain

Subjects: “…Electronic structure…”
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Electronic structure and defect states in bismuth and antimony sulphides identified by energy-resolved electrochemical impedance spectroscopy by Daria Miliaieva, Vojtech Nadazdy, Mykhailo Koltsov, Cibrán López, Hanieh Saeeyekta, Jaroslav Kuliček, Claudio Cazorla, Edgardo Saucedo, Raitis Grzibovskis, Aivars Vembris, Malle Krunks, Bohuslav Rezek, Nicolae Spalatu

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Weyl Fermion Manipulation Through Magnetic Transitions in the Ferromagnetic Non‐Centrosymmetric Weyl Semimetal PrAlSi by Kaipu Wang, Wujun Shi, Weizheng Cao, Xiaotian Yang, Zhengyang Lv, Cheng Peng, Cheng Chen, Defa Liu, Haifeng Yang, Lexian Yang, Meng Lyu, Peijie Sun, Enke Liu, Mao Ye, Yulin Chen, Yan Sun, Yanpeng Qi, Zhongkai Liu

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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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AB INITIO MODELING AND NANOSTRUCTURING OF TIC SURFACE BY LASER RADIATION by V. V. Ilyasov, D. K. Pham

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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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Strain and Layer Modulations of Optical Absorbance and Complex Photoconductivity of Two-Dimensional InSe: A Study Based on GW0+BSE Calculations by Chuanghua Yang, Yuan Jiang, Wendeng Huang, Feng Pan

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Understanding the Interface Characteristics Between TiB₂(0001) and L1₂-Al₃Zr(001): A First-Principles Investigation by Xingzhi Pang, Loujiang Yang, Hang Nong, Mingjun Pang, Gaobao Wang, Jian Li, Zhenchao Chen, Wei Zeng, Zhihang Xiao, Zengxiang Yang, Hongqun Tang

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