Adsorption of HCN, HNC and CH3CN toxic gases on the M-doped (M = Cr, Fe, Ni and Zn) GaNNS: A DFT-D study

被引：0

作者：

Yekta, Melody ^{[1
]}

Zanjanchi, Mohammad Ali ^{[1
]}

Roohi, Hossein ^{[1
]}

机构：

[1] Computational Quantum Chemistry Laboratory, Department of Chemistry, Faculty of Science, University of Guilan, Rasht, Iran

来源：

Colloids and Surfaces A: Physicochemical and Engineering Aspects | 2024年 / 684卷

关键词：

Compendex;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Adsorption

引用

共 40 条

[21] Adsorption of methyl isocyanate on M4 (M=Fe, Ni, and Cu) cluster-decorated graphene and vacancy graphene: a DFT-D2 study
Jogender
Mandeep
Badhani, Bharti
Kakkar, Rita
STRUCTURAL CHEMISTRY, 2020, 31 (05) : 1983 - 1997
[22] Adsorption of methyl isocyanate on M4 (M=Fe, Ni, and Cu) cluster-decorated graphene and vacancy graphene: a DFT-D2 study
Bharti Jogender
Rita Mandeep
Structural Chemistry, 2020, 31 : 1983 - 1997
[23] Thermoelectric properties of transition metals-doped Ca3Co3.8M0.2O9+δ (M = Co, Cr, Fe, Ni, Cu and Zn)
Pinitsoontorn, S.
Lerssongkram, N.
Keawprak, N.
Amornkitbamrung, V.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS, 2012, 23 (05) : 1050 - 1056
[24] Thermoelectric properties of transition metals-doped Ca3Co3.8M0.2O9+δ (M = Co, Cr, Fe, Ni, Cu and Zn)
S. Pinitsoontorn
N. Lerssongkram
N. Keawprak
V. Amornkitbamrung
Journal of Materials Science: Materials in Electronics, 2012, 23 : 1050 - 1056
[25] DFT study of NH3 adsorption on 2D monolayer MXenes (M2C, M = Cr, Fe) via oxygen functionalization: Suitable materials for gas sensors
Banu, A. Aseema
Sinthika, S.
Premkumar, S.
Vigneshwaran, J.
Karazhanov, Smagul Zh
Jose, Sujin P.
FLATCHEM, 2022, 31
[26] A DFT study of the ORR on M–N3 (M = Mn, Fe, Co, Ni, or Cu) co-doped graphene with moiety-patched defects
Gao, Qiangqiang
Ionics, 2020, 26 (05): : 2453 - 2465
[27] A DFT study of the ORR on M-N3 (M = Mn, Fe, Co, Ni, or Cu) co-doped graphene with moiety-patched defects
Gao, Qiangqiang
IONICS, 2020, 26 (05) : 2453 - 2465
[28] A DFT study of the ORR on M–N3 (M = Mn, Fe, Co, Ni, or Cu) co-doped graphene with moiety-patched defects
Qiangqiang Gao
Ionics, 2020, 26 : 2453 - 2465
[29] UREY-BRADLEY FORCE-CONSTANTS, NORMAL VIBRATIONS AND RAMAN ACTIVE FUNDAMENTAL FREQUENCIES OF [M(CH3CN6]2+ (M = MN, FE, CO, NI, CU AND ZN)
HASE, Y
ALVES, OL
ANAIS DA ACADEMIA BRASILEIRA DE CIENCIAS, 1980, 52 (02): : 267 - 272
[30] Quantum mechanically guided design of transition metal doped SrCo0.875M0.125O3-δ (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn)
Linke, Bernd M.
Music, Denis
Emmerlich, Jens
Schneider, Jochen M.
APPLIED PHYSICS LETTERS, 2011, 99 (23)

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