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Category: Chemical Physics Letters

Exploring the elastic properties and fracture patterns of Me-graphene monolayers and nanotubes through reactive molecular dynamics simulations

Exploring the elastic properties and fracture patterns of Me-graphene monolayers and nanotubes through reactive molecular dynamics simulations

Publication date: Available online 1 September 2023Source: Chemical Physics LettersAuthor(s): Marcelo L. Pereira, José. M. De Sousa, Wjefferson H.S. Brandão, Douglas. S. Galvão, Alexandre F. Fonseca, Luiz A. Ribeiro

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

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

Publication date: Available online 30 August 2023Source: Chemical Physics LettersAuthor(s): Yuxuan Fan, Xiangrui Meng, Xiaojing Liu, Jiang Wu, Yingjie Bai, Yucheng Wang, Hao Wang, Chuman He, Mengcheng Tao, Jiafu Chen

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

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: Available online 31 August 2023Source: Chemical Physics LettersAuthor(s): Chen Li, Xudong Zhang, Feng Wang

Corrigendum to “Effect of substituents of corrole derivatives on generation of singlet oxygen” [Chem. Phys. Lett. 763 (2021) 138165]

Corrigendum to “Effect of substituents of corrole derivatives on generation of singlet oxygen” [Chem. Phys. Lett. 763 (2021) 138165]

Publication date: November 2023Source: Chemical Physics Letters, Volume 830Author(s): Jun-Yong Shin, Seung-Hwan Kim, Yong-Il Park, Sunhee Lee, Yong Sup Lee, Won-Sik Han, Kang-Kyun Wang

Development of C<sub>3</sub>N<sub>4</sub> embedded Bi<sub>2</sub>WO<sub>6</sub> heterostructure for the improved toxic Cr(VI) reduction performance

Development of C<sub>3</sub>N<sub>4</sub> embedded Bi<sub>2</sub>WO<sub>6</sub> heterostructure for the improved toxic Cr(VI) reduction performance

Publication date: Available online 28 August 2023Source: Chemical Physics LettersAuthor(s): Sridhar Sampath, V. Rohini, Sunitha Muralidharan, Durgadevi Nagarajan, K.S. Balamurugan, Chinmaya Kumar Pradhan, A.R. Ravikumar, Subbiah Rammohan Chitra, Vasude…

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

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: Available online 26 August 2023Source: Chemical Physics LettersAuthor(s): Yajie Wang, Xiaoyan Gan, Wei Zheng, Liling Guo, Hanxing Liu