RESEARCH PAPER · Corrosion Science · 2023
Understanding atomic interaction between cuprous oxide film and aggressive chloride solution
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Effect of anions on the anodic dissolution behavior of iron: An electrochemical and density functional theory study
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Read original paper ↗ ·Understanding the adsorption of imidazole corrosion inhibitor at the copper/water interface by ab initio molecular dynamics
Corrosion Science · 2024-06-26
Xin Guo, Xinzheng Zhang, Xinzheng Zhang, Lingwei Ma, Jiabo Le, Jiabo Le, Lin Lu, Lin Lu, Dawei Zhang
Read original paper ↗ ·Nitride coatings for environmental barriers: the key microscopic mechanisms and momentous applications of first-principles calculations
Surface Science and Technology · 2024-08-14
Qinsheng He, Dongyang Liu, Youqi Zhou, Tianyu Sun, Liang‐Feng Huang
Read original paper ↗ ·High‐Throughput Design of 2D Coating Materials for the Corrosion Protection of Copper
Advanced Functional Materials · 2025-01-28
Zhongheng Fu, Zewei Gu, Dominik Legut, Xiang Chen, Dawei Zhang, Ruifeng Zhang
Read original paper ↗ ·Atomistic insights into chloride-induced depassivation mechanisms of protective Cu2O films in marine environments
Corrosion Science · 2025-07-15
Ao Chen, Ying Wang, Jiawei Le, Kai Xu, Yongbo Kuang, Keke Chang
Read original paper ↗ ·Cu/Cu2O@polyvinyl alcohol/carbon nanotube conductive hydrogel for chloride ion removal in capacitive deionization
Journal of Colloid and Interface Science · 2025-08-08
Fei Yu, Tianjie Chen, Jie Ma
Read original paper ↗ ·ICOHPs as a More Reliable Indicator than Adsorption Energies to Predict Corrosive Effects: A Density Functional Theory Investigation Into Degradation of Alumina by Chlorine‐Containing Corroders
Advanced Theory and Simulations · 2026-02-01
Anson Thomas, Puneet Gupta
Read original paper ↗ ·First-principles insights into the chloride ion-mediated destabilization of cuprous oxide films in aqueous environment
Corrosion Science · 2026-02-09
Zewei Gu, Zhongheng Fu, Xinzheng Zhang, Xinzheng Zhang, Tian Zhang, Tianchen Zhang, Tian Zhang, Tian Zhang, Jiamin Pei, Suyu Jin, Dominik Legut, Philippe Marcus, Dawei Zhang
Read original paper ↗ ·Computational Insights into the Relationship Between Solution Concentration and Adsorption Energy
Molecules · 2026-03-09
Wangyan Lv, Wenjie Zhou, Ming Nie, Chenyang Yao, Zhong’ao Wang, Yongchun Liang, Songyu Xie, Chaofang Dong
Read original paper ↗ ·Atomistic modeling of molecular interactions with copper oxides for corrosion inhibition
npj Materials Degradation · 2026-04-01
Mazhar Iqbal, Ernane de Freitas Martins, Nevena Todorova, Zhongheng Fu, Ivan Stuart Cole, Pablo Ordejón
Read original paper ↗ ·Degradation of Metal Guitar Strings: Corrosion-Induced Mechanical Damage and Electrochemical Analysis Under Accelerated Conditions
Corrosion and Materials Degradation · 2026-07-16
Alfonso Rodríguez-Tejón, Luis Borja Peral, N. García-Fernández, Fernandez Pelayo, Ines Fernandez-Pariente
Read original paper ↗ ·Simultaneous optimization of mechanical and corrosion properties in Cu–10Ni alloys via Si-induced microstructure engineering: The trade-off between Ni3Si and Ni31Si12 phases
Materials Characterization · 2026-08-28
Chaoyi Zu, Wei Sun, Lina Zhao, Xinzhe Li, Heyan Zhang, Xintong Zhang, Xingyu Xiao, Zhilei Wang
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