Two-dimensional graphitic C3N5 materials: promising metal-free catalysts and CO2 adsorbents

doi:10.1039/c8ta01458b

CORC > 武汉物理与数学研究所 > 中国科学院武汉物理与数学研究所 > 磁共振应用研究部

	Two-dimensional graphitic C3N5 materials: promising metal-free catalysts and CO2 adsorbents
	Zheng, Anmin 1; Chen, Wei 1,3; Liu, Zhiqiang 1,3; Huang, Ling 1; Cao, Dapeng 2
刊名	JOURNAL OF MATERIALS CHEMISTRY A
	2018-04-28
卷号	6 期号:16 页码:7168-7174
DOI	10.1039/c8ta01458b
文献子类	Article
英文摘要	Graphitic carbon nitrides (CNs) have attracted wide attention because of their unique physical and chemical properties. However, the extended applications of amorphous CNs are limited due to their non-porous nature. In this work, a two-dimensional graphite-like CN material, g-C3N5, with a crystalline porous structure as well as high nitrogen content, is proposed. The optical, electronic and catalytic properties of g-C3N5 have been investigated systematically by using the density functional theory. Results indicate that the visible-light absorption region of g-C3N5 is broadened significantly, and its catalytic activity in the oxygen reduction reaction (ORR) is enhanced greatly, compared to other graphitic CN materials. Furthermore, grand canonical Monte Carlo calculations indicate that g-C3N5 exhibits preferable affinity for CO2 due to the intrinsic basicity of the CN material, and therefore shows notable adsorption selectivity of CO2/H-2 (S-CO2/H2 = 50) and CH4/H-2 (S-CH4/H2 = 11) at 298 K. In addition, molecular dynamic simulations reveal that the self-diffusivities of CO2, CH4 and H-2 in g-C3N5 are comparable with those in most 3D porous COFs and MOFs. In short, the 2D g-C3N5 material not only possesses the advantages of CN materials, but also exhibits promising applications in metal-free ORR catalysis, gas adsorption and separation.
WOS关键词	COVALENT ORGANIC POLYMERS ; MESOPOROUS CARBON NITRIDE ; OXYGEN REDUCTION REACTION ; DIAMOND-LIKE FRAMEWORKS ; ELECTRONIC-STRUCTURE ; MONOLAYER G-C3N4 ; HYDROGEN STORAGE ; VISIBLE-LIGHT ; ADSORPTION ; SEPARATION
WOS研究方向	Chemistry ; Energy & Fuels ; Materials Science
语种	英语
WOS记录号	WOS:000431003600051
资助机构	Chinese Academy of Sciences(QYZDB-SSW-SLH026) ; Chinese Academy of Sciences(QYZDB-SSW-SLH026) ; National Natural Science Foundation of China(21625601 ; National Natural Science Foundation of China(21625601 ; Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase)(U1501501) ; Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase)(U1501501) ; 21473244 ; 21473244 ; 21522310 ; 21522310 ; 51503222 ; 51503222 ; 91645112) ; 91645112) ; Chinese Academy of Sciences(QYZDB-SSW-SLH026) ; Chinese Academy of Sciences(QYZDB-SSW-SLH026) ; National Natural Science Foundation of China(21625601 ; National Natural Science Foundation of China(21625601 ; Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase)(U1501501) ; Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase)(U1501501) ; 21473244 ; 21473244 ; 21522310 ; 21522310 ; 51503222 ; 51503222 ; 91645112) ; 91645112)
内容类型	期刊论文
源URL	[http://ir.wipm.ac.cn/handle/112942/12059]
专题	武汉物理与数学研究所_磁共振应用研究部
作者单位	1.Chinese Acad Sci, State Key Lab Magnet Resonance & Atom & Mol Phys, Natl Ctr Magnet Resonance Wuhan, Wuhan Inst Phys & Math, Wuhan 430071, Hubei, Peoples R China 2.Beijing Univ Chem Technol, State Key Lab Organ Inorgan Composites, Beijing 100029, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Zheng, Anmin,Chen, Wei,Liu, Zhiqiang,et al. Two-dimensional graphitic C3N5 materials: promising metal-free catalysts and CO2 adsorbents[J]. JOURNAL OF MATERIALS CHEMISTRY A,2018,6(16):7168-7174.
APA	Zheng, Anmin,Chen, Wei,Liu, Zhiqiang,Huang, Ling,&Cao, Dapeng.(2018).Two-dimensional graphitic C3N5 materials: promising metal-free catalysts and CO2 adsorbents.JOURNAL OF MATERIALS CHEMISTRY A,6(16),7168-7174.
MLA	Zheng, Anmin,et al."Two-dimensional graphitic C3N5 materials: promising metal-free catalysts and CO2 adsorbents".JOURNAL OF MATERIALS CHEMISTRY A 6.16(2018):7168-7174.