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Работ: 36
Работа: Theoretical study of the Ptn (n = 1–4) nanoparticle functionalized BC3 nanosheets and their effects on the adsorption and sensing of SOx, CO2 and NO2 molecules
Special points for Brillouin-zone integrations
Hendrik J. Monkhorst, J.D. Pack
Статья1976Цитирований: 60ABIThe SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation
José M. Soler, Emilio Artacho, Julian D. Gale +4
Статья2002Цитирований: 17ABIGeneralized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
John P. Perdew, Kieron Burke, Matthias Ernzerhof
Статья1997Цитирований: 14ABIPd-doped MoS2 monolayer: A promising candidate for DGA in transformer oil based on DFT method
Hao Cui, Xiaoxing Zhang, Guozhi Zhang +1
Статья2018Цитирований: 7ABIRh-doped MoSe<sub>2</sub> as a toxic gas scavenger: a first-principles study
Hao Cui, Guozhi Zhang, Xiaoxing Zhang +1
Статья2018Цитирований: 4ABITwo-dimensional metal carbide comrade for tracing CO and CO2
Basant Roondhe, Khushbu P. Patel, Prafulla K. Jha
Статья2019Цитирований: 3ABIC3N monolayers as promising candidates for NO2 sensors
Dongwei Ma, Jing Zhang, Xinxin Li +5
Статья2018Цитирований: 2ABIHydrogen and methane storage and release by MoS<sub>2</sub> nanotubes for energy storage
Xiuxiu Wang, Baoyu Li, David R. Bell +2
Статья2017Цитирований: 2ABITwo-dimensional delafossite cobalt oxyhydroxide as a toxic gas sensor
Deepak Upadhyay, Basant Roondhe, Arun Pratap +1
Статья2019Цитирований: 2ABI