Category Archives: Chemical Physics

Tunable electronic and optical properties of AlSb/InSe heterojunction and As and Te doped AlSb/InSe heterojunction based on first principles

Posted on by

Publication date: 1 January 2024Source: Chemical Physics, Volume 576Author(s): Yue Sun, Lijun Luan, Linshen Ye, Jiaheng Zhao, Yan Zhang, Xing Wei, Jibin Fan, Lei Ni, Chen Liu, Yun Yang, Jian Liu, Ye Tian, Li Duan Continue reading Tunable electronic and optical properties of AlSb/InSe heterojunction and As and Te doped AlSb/InSe heterojunction based on first principles→

Theoretical relationship between vibrational properties and impact sensitivity of energetic materials from the phonon upon transition theory

Posted on by

Publication date: 1 January 2024Source: Chemical Physics, Volume 576Author(s): Shi-Yuan Bao, Wei Zeng, Fu-Sheng Liu, Zheng-Tang Liu, Qi-Jun Liu Continue reading Theoretical relationship between vibrational properties and impact sensitivity of energetic materials from the phonon upon transition theory→

Strain induced modification in thermal properties of monolayer 1T-HfS<sub>2</sub> and HfS<sub>2</sub>/HfSe<sub>2</sub> heterojunction

Posted on by

Publication date: 1 November 2023Source: Chemical Physics, Volume 575Author(s): Jinlin Bao, Lu Yang, Guili Liu, Yan Wang, Tao Liu Continue reading Strain induced modification in thermal properties of monolayer 1T-HfS<sub>2</sub> and HfS<sub>2</sub>/HfSe<sub>2</sub> heterojunction→

Tissue evolution of Al<sub>0.67</sub>Cu<sub>0.33</sub> alloy during melting and solidification by molecular dynamics simulation

Posted on by

Publication date: 1 November 2023Source: Chemical Physics, Volume 575Author(s): Yufeng Chen, Yaoning Sun, Wangjun Cheng, Acong Meng, Shilin Zhang, Pengbo Wang Continue reading Tissue evolution of Al<sub>0.67</sub>Cu<sub>0.33</sub> alloy during melting and solidification by molecular dynamics simulation→

Theoretical studies of the dissociation of Mn atoms on different crystal surfaces of LiMn<sub>0.5</sub>Fe<sub>0.5</sub>PO<sub>4</sub>

Posted on by

Publication date: 1 November 2023Source: Chemical Physics, Volume 575Author(s): Kaifu Zhong, Qiang Yang, Yao Tong, Wutang Zhang, Xinghong Cai, Min Wang Continue reading Theoretical studies of the dissociation of Mn atoms on different crystal surfaces of LiMn<sub>0.5</sub>Fe<sub>0.5</sub>PO<sub>4</sub>→