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

Subjects: Get full text

Electronic state reconstruction enabling high thermoelectric performance in Ti doped Sb2Te3 flexible thin films by Dong Yang, Bo Wu, Mazhar Hussain Danish, Fu Li, Yue-Xing Chen, Hongli Ma, Guangxing Liang, Xianghua Zhang, Jean-François Halet, Jingting Luo, Dongwei Ao, Zhuang-Hao Zheng

Subjects: Get full text

The Interfacial Structure and Bonding Properties of the Al(111)/CrB₂(0001) Interface: Insights for Advanced Al-Based Composites by Jingwen Sun, Mingjie Wang, Ben Wang, Zhongxian Chen

Subjects: Get full text

Structure – property relationship for the fluorinealcanes by A.V. Kotomkin, Yu.D. Orlov

Subjects: Get full text

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

Subjects: Get full text

ELECTRONIC STRUCTURE OF LAYERED COMPOUNDS WHICH CONSISTS OF TWO- AND TRICOORDINATED CARBON ATOMS by T.E. Belenkova, V.M. Chernov

Subjects: Get full text

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

Subjects: “…Electronic structures…”
Get full text

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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: Get full text

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

Subjects: “…electronic structure…”
Get full text

The Influence of Light Rare-Earth Substitution on Electronic and Magnetic Properties of CoFe₂O₄ Nanoparticles by Rareș Bortnic, Adam Szatmari, Tiberiu Dragoiu, Radu George Hategan, Roman Atanasov, Lucian Barbu-Tudoran, Coriolan Tiusan, Raluca Lucacel-Ciceo, Roxana Dudric, Romulus Tetean

Subjects: Get full text