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First-principles study of alloy stability and diffusion on aluminum alloy surfaces

Zhengqing Wei1,*, Inna Plyushchay2,†, Nebahat Bulut1,‡, and Sibylle Gemming1,3,§

  • *Contact author: zhengqing.wei@physik.tu-chemnitz.de
  • †Contact author: inna.plyushchay@gmail.com
  • ‡Contact author: nebahat.bulut@physik.tu-chemnitz.de
  • §Contact author: sibylle.gemming@physik.tu-chemnitz.de

Thermally induced interfacial evolution and Si/Cu co-doping-regulated stability of Al-based thin films on Si

Zhaorui Sun, Tengyu Wang, Sheng Zhu, Liqiong Wang, Yelin Wei, Li Chen, Xiuhua Chen, Chen Li, Ming Wen, Zongdeng Wu, Shaoyuan Li, and Wenhui Ma

Journal of Materials Research and Technology 45 2512 (2026)

Work function-tunable Li–Ag alloy anodes for modulating interface barriers in sulfide-based solid-state batteries

Guigui Xu, Jieming Xu, Hongbin Lin, Yue Chen, Kehua Zhong, Jian-Min Zhang, and Zhigao Huang

Journal of Applied Physics 140 095001 (2026)

Adsorption and thermal decomposition mechanisms of ethanol on Al (111): Insights from first-principles and ReaxFF molecular dynamics

Xiaolong Zhao, Zhiwu Wang, Jialiang Zhou, Yang Zhang, Zixu Zhang, Jingtao Xiao, and Wenshuo Shi

Journal of Analytical and Applied Pyrolysis 198 107932 (2026)

First principles insight into L12 precipitate formation in Al–Zr alloys

Inna Plyushchay, Zhengqing Wei, and Sibylle Gemming

Computational Materials Science 270 114783 (2026)

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