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Molecular-level investigation of Lithium coordination in a PMBP-TRPO synergistic extraction system: Integrated FTIR, ESI-MS, and DFT stud
Author: Sun, Honghong; Guo, Zong; Cui, Senlin; Northwood, Derek O.; Waters, Kristian E.; Liu, Sanping; Ma, Hao
Journal: CHEMICAL PHYSICS. 2026; Vol. 607, Issue , pp. -. DOI: 10.1016/j.chemphys.2026.113183
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A comparative theoretical analysis of Kr-AgX (X = F, Cl, Br, I) complexes: from ab initio potential energy surfaces to microwave transition
Author: Luo, Wei; Li, Xiang; Liu, Zhuang; Hu, Zeqin; Xie, Hongqiang; Zheng, Rui
Journal: CHEMICAL PHYSICS. 2026; Vol. 607, Issue , pp. -. DOI: 10.1016/j.chemphys.2026.113171
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Microscopic mechanisms of thermal conductivity enhancement in Fe-H2O nanofluids: the role of nanoparticle shape and interfacial layer structur
Author: Zhao, Junjun; Qing, Shan; Li, Chenghang; He, Guili; Zhang, Jing
Journal: CHEMICAL PHYSICS. 2026; Vol. 607, Issue , pp. -. DOI: 10.1016/j.chemphys.2026.113170
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First-principles insights into the direct Z-scheme GeS/SiC van der Waals heterostructure for overall photocatalytic water splittin
Author: Zhang, Yan; Jia, Ying-Ying; Duan, Li
Journal: CHEMICAL PHYSICS. 2026; Vol. 607, Issue , pp. -. DOI: 10.1016/j.chemphys.2026.113184
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Theoretical study of SnS2/PtSe2 heterojunction as an anode material for Ca-ion batterie
Author: Dang, Jianmeng; Ren, Heng
Journal: CHEMICAL PHYSICS. 2026; Vol. 607, Issue , pp. -. DOI: 10.1016/j.chemphys.2026.113186
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BN substrate induced transition from Schottky to ohmic contact in WSeTe/ NbSe2 heterojunctio
Author: Chen, Wenjie; Lu, Peisong; Li, Songyang; Li, Xu; Chen, Jingjun; Zhang, Yumeng; Bian, Baoan
Journal: CHEMICAL PHYSICS. 2026; Vol. 607, Issue , pp. -. DOI: 10.1016/j.chemphys.2026.113193
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Synergistic electronic modulation and morphological engineering of CoFe-MOF via Ni/Mo co-doping for efficient alkaline hydrogen evolutio
Author: Zhao, Songze; Lv, Ying; Liu, Xinqi; Xiao, Meixia; Lei, Shubin
Journal: CHEMICAL PHYSICS. 2026; Vol. 607, Issue , pp. -. DOI: 10.1016/j.chemphys.2026.113189
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First-principles calculations of magnetic mechanism of sodium-doped β-Ga2O3 with point defect
Author: Bai, Xuefei; Hou, Qingyu; Li, Wencai
Journal: CHEMICAL PHYSICS. 2026; Vol. 607, Issue , pp. -. DOI: 10.1016/j.chemphys.2026.113191
