Results 41 to 50 of about 78 (53)
Na2Fe3(SO4)4 là vật liệu cathode mới với điện thế cao dùng cho pin sodium-ion
, 2021 Based on the density functional theory, we propose a promising cathode material, Na2Fe3(SO4)4, applicable for sodium-ion batteries. The crystal structure, stability, average voltage, and diffusion mechanism are carefully investigated to evaluate the ...
Dinh, Van An +4 more
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BẢN CHẤT LIÊN KẾT HÓA HỌC CỦA CLUSTER Si2M VỚI M LÀ MỘT SỐ KIM LOẠI HÓA TRỊ I (Li, Na, K, Cu và Cr)
, 2020 The density functional theory at the B3P86/6-311+G(d) level was used to study the geometric structures, stability, and chemical bonding of doped silicon clusters Si2M (M = Li, Na, K, Cu, and Cr).
Duong, Tran +6 more
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Nguồn gốc lịch sử tộc người vùng biên giới phía Bắc Việt Nam [PDF]
, 2000 Hoàng, Hoa Toàn +2 more
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The successful fabrication of asymmetric two-dimensional Janus monolayers has opened up a new potential research direction. In this paper, we use density functional theory to study the properties of Janus monolayer SMoGeZ2 (Z = N, P, As), including ...
Do, Thi Minh Anh +4 more
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Quantum chemical calculations at the gradient-corrected (BP86) density-functional calculations with various basis sets (SVP, TZVPP) have been carried out for Mo(CO)4 complexes of Nheterocyclic carbene and analogues-NHEMe (called tetrylenes) with E = C ...
Huynh, Thi Phuong Loan +2 more
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