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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Origin of the strong anharmonic-induced abnormal thermal conductivity in semiconductors by Kaike Yang, Fang-Xiu Liao, Xiao Zhou, Benliang Zhou, Yaxin Zhai, Meng-Dong He, Guanghui Zhou, Roberto D’Agosta

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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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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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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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Experimental electronic structures of copper complexes with a biphenyldiimino dithioether – a model for blue copper proteins by Marek Fronc, Martin Breza, Lukáš Bučinský, Ingrid Jelemenská, Jozef Kožíšek

Subjects: “…electronic structures…”
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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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ELECTRONIC STRUCTURE OF LAYERED COMPOUNDS WHICH CONSISTS OF TWO- AND TRICOORDINATED CARBON ATOMS by T.E. Belenkova, V.M. Chernov

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

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Electronic Structure of Vanadium-Doped TiO2 of Both Anatase and Rutile Based on Density Functional Theory (DFT) Approach by Hari Sutrisno

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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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New Two-Dimensional Materials Obtained by Functionalization of Boron Graphdiyne Layers with Nickel by Estefanía Germán, María J. López, Julio A. Alonso

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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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Electronic Structure and Optical Properties of GaAs Doped with Rare-Earth Elements (Sc, Y, La, Ce, and Pr) by Yongrong Deng, Chunhong Zhang, Xinmao Qin, Wanjun Yan

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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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Comprehensive review on single-atom catalysts in electrochemical hydrogen-evolution reaction: computational modelling and experimental investigation by Fares Chabira, Sajjad Ali, Abbas Khan, Muhammad Humayun, Mohamed Bououdina

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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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First-Principles Calculations of the Effect of Ta Content on the Properties of UNbMoHfTa High-Entropy Alloys by Yue Lin, Tao Wang, Jintao Wang, Wanxiao Guo, Weiyi Li, Yuheng Li, Hongbo Qiu

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