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Category: Chemical Physics

First-principles calculations to investigate structural, electronic and optical properties of ternary copper halides A<sub>l</sub>Cu<sub>m</sub>X<sub>n</sub> (A=K, Rb, Cs; X=Cl, Br, I)

First-principles calculations to investigate structural, electronic and optical properties of ternary copper halides A<sub>l</sub>Cu<sub>m</sub>X<sub>n</sub> (A=K, Rb, Cs; X=Cl, Br, I)

Publication date: Available online 30 March 2023Source: Chemical PhysicsAuthor(s): Jing Huang, Sen Ming, Hui Zeng, Minghao Li, Yunyun Chen, Jing Su

Lysine-functionalized layered double hydroxides for the antibiotics’ efficient removal: Controllable fabrication <em>via</em> BBD model and removing mechanism

Lysine-functionalized layered double hydroxides for the antibiotics’ efficient removal: Controllable fabrication <em>via</em> BBD model and removing mechanism

Publication date: Available online 30 March 2023Source: Chemical PhysicsAuthor(s): Yuying Hu, Susu Liu, Min Qiu, Xiaohuan Zheng, Xiaoming Peng, Hongling Dai, Fengping Hu, Li Xu, Gaoping Xu, Yiru Zhu, Rui Guo

Modulation of the magnetic, electronic, and optical behaviors of WS<sub>2</sub> after metals adsorption: A first-principles study

Modulation of the magnetic, electronic, and optical behaviors of WS<sub>2</sub> after metals adsorption: A first-principles study

Publication date: Available online 30 March 2023Source: Chemical PhysicsAuthor(s): Kunqi Yang, Zhen Cui, Enling Li, Yang Shen, Lin Zhang, Deming Ma, Zhihao Yuan, Yanbo Dong, Shuang Zhang

First, second and third order NLO response of alkaline earth metals doped C<sub>6</sub>O<sub>6</sub>Li<sub>6</sub> organometallic complexes

First, second and third order NLO response of alkaline earth metals doped C<sub>6</sub>O<sub>6</sub>Li<sub>6</sub> organometallic complexes

Publication date: Available online 24 March 2023Source: Chemical PhysicsAuthor(s): Naveen Kosar, Sunaina Wajid, Khurshid Ayub, Mazhar Amjad Gilani, Tariq Mahmood