Abstract: In the present study, the variation of the band gap energy with biaxial strain in SnO 2 in its bulk form is examined using state-of-the-art first-principles calculations. All calculations ...

Researchers at China University of Petroleum (East China) present a comprehensive AI-driven strategy that enhances the efficiency and reliability of materials research across semiconductors, ...

Qikun Hu, Ehsan Rezaee, Wangping Xu, Rajendran Ramachandran, Qian Chen, Hu Xu, Tarek EL‐Assaad, Dominic V McGrath, Zong‐Xiang Xu (2021) Dual Defect‐Passivation Using Phthalocyanine for Enhanced ...

Department says no redundancies as a result but sources believe jobs will go in push to cut posts and overhaul railways Hundreds of civil servants are being transferred from the Department for ...

The Nature Index 2025 Research Leaders — previously known as Annual Tables — reveal the leading institutions and countries/territories in the natural and health sciences, according to their output in ...

Density functional theory (DFT) calculations have become a ubiquitous feature of journal articles in all of chemistry’s subdisciplines, used by researchers to electronically characterize molecules or ...

When experiments are impractical, density functional theory (DFT) calculations can give researchers accurate approximations of chemical properties. The mathematical equations that underpin the ...

The new DfT Ministerial team. Lilian Greenwood (L), Simon Lightwood (LC), Louise Haigh (C), Lord Peter Hendy (RC), and Mike Kane (R). Credit: Department for Transport The Labour Party secured a ...

A group of researchers led by the Zhejiang University of Technology in China has proposed to use two sulfone-based organic molecules known as diphenylsulfone (DPS) and 4,4′-dimethyldiphenylsulfone ...

Researchers have developed a thermal regulation strategy to improve the performance of inverted tin-lead perovskite tech for all-perovskite tandem solar cells. It has an efficiency of 23.4% and ...