Structural, elastic, anisotropic, electronic, thermal properties and tensile strength of AlTM<sub>2</sub>Ti (TM = Ni, Fe, Cu, Co, Au) studied by first-principles calculations

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): Lu Cao, Xudong Zhang, Feng Wang Continue reading Structural, elastic, anisotropic, electronic, thermal properties and tensile strength of AlTM<sub>2</sub>Ti (TM = Ni, Fe, Cu, Co, Au) studied by first-principles calculations

Fe-induced Kondo peak splitting in tip-functionalized scanning tunneling spectroscopy: A first-principles-based simulation

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): Qingfeng Zhuang, Lijun Zuo, Xiangyang Li, Lyuzhou Ye, Xiao Zheng, YiJing Yan Continue reading Fe-induced Kondo peak splitting in tip-functionalized scanning tunneling spectroscopy: A first-principles-based simulation

Chemically reactive water-based carbon nanotubes flow saturated in Darcy-Forchheimer porous media coupled with entropy generation

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): W.A. Khan, T.A. Yusuf, F. Mabood, M.K. Siddiq, S.A. Shehzad Continue reading Chemically reactive water-based carbon nanotubes flow saturated in Darcy-Forchheimer porous media coupled with entropy generation

Experimental and molecular modeling investigation on adsorption of gold cyanide complex onto the iron oxide and hydroxide minerals

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): Aida Arasteh, Mohammad Reza Khalesi, Mehdi Mohseni Continue reading Experimental and molecular modeling investigation on adsorption of gold cyanide complex onto the iron oxide and hydroxide minerals

First-principles study on the lattice vibration, anisotropy, tensile strength and electronic properties of Cu<sub>x</sub>Hf<sub>y</sub>Si<sub>z</sub> intermetallics

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): Chen Li, Xudong Zhang, Feng Wang Continue reading First-principles study on the lattice vibration, anisotropy, tensile strength and electronic properties of Cu<sub>x</sub>Hf<sub>y</sub>Si<sub>z</sub> intermetallics

Enhanced solar-light-driven photoelectrochemical water splitting performance of type II 1D/0D CdS/In<sub>2</sub>S<sub>3</sub> nanorod arrays

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): Jiachao Wu, Jun Wei, Bing Lv, Mingjun Wang, Xiaolu Wang, Wenzhong Wang Continue reading Enhanced solar-light-driven photoelectrochemical water splitting performance of type II 1D/0D CdS/In<sub>2</sub>S<sub>3</sub> nanorod arrays

Microwave assisted synthesis of iron fluoride/three dimensional graphene nanostructure composites for high-performance lithium-ion batteries

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): Wenjia Mi, Jiale An, Feng Zhang, Jun Zhao, Xiuying Wang Continue reading Microwave assisted synthesis of iron fluoride/three dimensional graphene nanostructure composites for high-performance lithium-ion batteries

Performance optimization of all-inorganic CsGeI<sub>3</sub> solar cells: SCAPS simulation and DFT calculation

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): Yuxuan Fan, Xiangrui Meng, Xiaojing Liu, Jiang Wu, Yingjie Bai, Yucheng Wang, Hao Wang, Chuman He, Mengcheng Tao, Jiafu Chen Continue reading Performance optimization of all-inorganic CsGeI<sub>3</sub> solar cells: SCAPS simulation and DFT calculation

Effectively tuning the band gap of double perovskite Cs<sub>2</sub>Ag(B<sub>x</sub>Bi<sub>1-x</sub>)Br<sub>6</sub> (B = Sb<sup>3+</sup>, In<sup>3+</sup>) thin films

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): Yajie Wang, Xiaoyan Gan, Wei Zheng, Liling Guo, Hanxing Liu Continue reading Effectively tuning the band gap of double perovskite Cs<sub>2</sub>Ag(B<sub>x</sub>Bi<sub>1-x</sub>)Br<sub>6</sub> (B = Sb<sup>3+</sup>, In<sup>3+</sup>) thin films