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Boosting Oxygen Evolution Reaction Performance on NiFe‑Based Catalysts Through d‑Orbital Hybridization

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Nano-Micro Letters 2025年第1期17卷 281-292页

作者： Xing Wang Wei Pi sheng Hu Haifeng bao Na Yao Wei luo State Key Laboratory of New Textile Materials and Advanced Processing Technology Key Laboratory of New Textile Materials and Applications of Hubei ProvinceSchool of Materials Science and EngineeringWuhan Textile UniversityWuhan 430200People’s Republic of China College of Chemistry and Molecular Sciences Wuhan UniversityWuhan 430072People’s Republic of China

Anion-exchange membrane water electrolyzers(AEMWEs)for green hydrogen production have received intensive attention due to their feasibility of using earth-abundant NiFe-based *** introducing a third metal into NiFe-based catalysts to construct asymmetrical M-NiFe units,the d-orbital and electronic structures can be adjusted,which is an important strategy to achieve sufficient oxygen evolution reaction(OER)performance in ***,the ternary NiFeM(M:La,Mo)catalysts featured with distinct M-NiFe units and varying d-orbitals are reported in this *** and theoretical calculation results reveal that the doping of La leads to optimized hybridization between d orbital in NiFeM and 2p in oxygen,resulting in enhanced adsorption strength of oxygen intermediates,and reduced rate-determining step energy barrier,which is responsible for the enhanced OER *** critically,the obtained NiFeLa catalyst only requires 1.58 V to reach 1 A cm^(−2) in an anion exchange membrane electrolyzer and demonstrates excellent long-term stability of up to 600 h.

关键词： NiFe-based catalysts d-orbital coupling Oxygen evolution reaction Anion exchange membrane electrolyzer

Synthesis and Crystal Structure of [Cu (C_8H_4O_2F_3S) (2, 2' -bipy) ]

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Chinese Journal of Structural Chemistry 1997年第4期16卷 287-289页

作者： WANG Dong-Mei XUE bao-Yu YANG Rui-Na JIN Dou-Man(Henan Institute of Chemistry, Zhengzhou 450003)CHEN Liao-Rong luo bao-sheng(Wuhan University, Wuhan 430072) 河南省科学院化学所河南郑州武汉大学湖北武汉

Reaction of Cu powder with 2-thenoyltrifluoroacetone and 2, 2-bipygave a complex [Cu(C8H4SO2F3) (2, 2' -bipy)]. The title compound is monoclinic sys-tem, sapce grop C2/c, a= 17. 892(5), b= 18. 495(4), c= 16. 242(6) A, β=121. 02(2)°, Z=8, V=4606. 2 A3, Dc= 1. 512 g/cm3, μ= 12. 724 cm-1, F(000) = 1766,Mr = 440. 6, Final R = 0. 061 and R. = 0. 071. X-ray crystal structure analysis revealedthat copper(I) is coordinated by two O and two N atoms. The Cu(I) atom displays anearly square planar coordination geometry.

关键词： copper(Ⅰ) complex crystal structure synthesis

Crystal　Structure　of　3－hydroxyl－1，5－diazacycloheptane　Dihydrobromide　C_5H_（12）N_2O·2HBr

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Chinese Journal of Structural Chemistry 1996年第5期15卷 371-373页

作者： LIU Yong XUE Guo-Ping WU Cheng-Tai(Department of Chemistry, Wuhan University, Wuhan,430072)luo bao-sheng CHEN Liao-Rong(Centre of Analysis and Testing,Wuhan University, Wuhan, 430072) Department of Chemistry Wuhan University Wuhan 430072 Centre of Analysis and Testing Wuhan University Wuhan 430072

Crystal structure of the title compound C5H12N2O·2HBr has been determined by X-ray diffraction *** crystallographic data are as follows: Mr=278.00,orthorhombic,space group P212121,a=7.726(3),b=9.337(1),c=12.702(2)A,V=916.3(7) A3, Z=4,Dc=***-3,μ=87. 084 cm-1(MoKa),F(000)=634.6,R=0.078,Rw=0. 099 for 1169 observed reflections with I≥3σ(I) It is confirmed by the determination that the conformation of the title compound is rather like a crown than regular chair or boat form.

关键词： crystal structure mesocyclic diamine free ligand

Crystal　Structure　of　Calix［4］（dioxo）　crown－6　Acetonitrile（1：3）　Inclusion　Complex

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Chinese Journal of Structural Chemistry 1996年第5期15卷 358-361页

作者： ZHONG Zhen-Lin CHEN Yuan-Yin LU Xue-Ran(Department of Chemistry,Wuhan University,Wuhan 430072)luo bao-sheng CHEN Liao-Rong(Center of Analytical Science,Wuhan University, Wuhan 430072) 武汉大学化学系湖北武汉武汉大学分析测试中心湖北武汉

The X-ray crystal structure of the inclusion complex of p-tert-butylcalix [4] crown-6 with actonitrile is reported. C54H70O10·3CH3CN, Mr=1002. 3 ,monoclinic, space group C2/c with cell dimensions of a=23.587(7),b=21.153(6),c=15.608(8) A,β=116.99(3)°,V=6939.2 A3,Z=4, F(000)=2160,Dc=0.959 g/cm3,μ=1.114 cm-1; R=0.088 for 2066 reflections with I>3σ(I).The calixarene subunit exists in a distorted cone conformation. One of the three acetonitrile molecules is located in the intracavity of the calixarene subunit and the other two in the intermolecular channels.

关键词： crystal structure calixarene calixcrown acetonitrile inclusion complex

Synthesis　and　Crystal　Structure　of　Tetrabonzoato　Bis　（2－Aminothiazol）　Dicopper（Ⅱ）

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Chinese Journal of Structural Chemistry 1995年第4期14卷 300-303页

作者： Wang Dong-Mei Hou Yi-Min Yang RuiNa Hu Xiao-Yuan Xuo bao-Yu Jin DouMan(Henan Institute of Chemistry, Zhengzhou 450003)Chen Liao-Rong, luo bao-sheng(Wuhan University , Wuhan 430072) 河南省科学院化学所河南郑州武汉大学湖北武汉

Reaction of Cu with dibenzovi peroxide, 2-aminothiazol gave a binuclear complex [Cu_2 (C_6H_5COO)_4(C_3H_4N_2S)_2]. Crystal of the title compound is monoclinic system space group P2_1/n , M_r = 807. 84 with cell parameters a= 10. 685 ( 1 ), b=19. 028(6), c=17. 046(9) , β=96. 49(33)￣°, Z=4, V=3443. 4, D_c=1. 565 g/cm￣-3, μ= 14. 078 cm￣-1, F(000)= 824. The final refinement with 3429 observed reflections is converged with R= 0. 046 and R_w=0. 053. X-ray crystal structure analysis revealed that each copper ion is coordinated by four bridging birfentate benzoate ligandsand one Zaminothiazol to form a binuclear molecule. In the crvstal, there are intramolecular hydrogen bonds N (1)- H ( 1 )-O(4) and N (3)- H (3)-O(1) with NO distance of 3. 005, N-H-O angle of 131. 9°.

关键词： binuclear copper complex oxidative addition crystal structure

Synthesis and Crystal Structure of 10-Phenyl-1,7-dithia-4-oxa-10-aza-12-crown-4

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Chemical Research in Chinese Universities 1998年第4期14卷 27-30页

作者： NIU Chang rong JIANG Hua and WU Cheng tai (Department of Chemistry, Wuhan University, 430072) luo bao sheng (Center of Instrumental Analysis, Wuhan University, Wuhan, 430072)

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关键词： Crystal structure Free ligand Mixed donor macromolecular ligand

Crystal　Structure　of　Copper（Ⅱ）　Complex　with　3－Hydroxyl－1，5－diazacyclooctane

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Chinese Journal of Structural Chemistry 1996年第4期15卷 315-317页

作者： Liu sheng-Hua Xue Guo-Ping Fu En-Qin Wu ChengTai(Department of Chemistry, Wuhan University, Wuhan 430072) luo bao-sheng Chen Liao-Rong(Centre of Analysis and Testing, Wuhan University, Wuhan 430072)

Crystal structure of copper(Ⅱ) complex with a new mesocyclic diamine ligand 3-hydroxyl-1, 5-diazacyclooctane, Cu [C_(12)H_(28)N_4O_2]Br_2, M_r= 483. 7 is reported. It crystallizes in orthorhombic Pbca with a= 16. 201 (5), b=10. 513 (4), c=9. 992(4) A, V=1701. 8(7) A￣3, Z=4, D_c=1. 888 g/cm￣3, μ=49. 5 cm￣(-1) (MoKa),F(000) = 972. The final R and Rto are 0. 039 and 0. 047 for 1052 observed reflections with I≥3σ(I). The result of X-ray structure determination shows that 3hydroxyl-1,5-diazacyclooctane forms a 2 :1 complex with CuBr_2 in which the central copper ion is sandwiched between the two ligands.

关键词： crystal structure mesocyclic diamine copper complex

金属有机盐[CpFe(C_6H_6)]_2·[Ni(mnt)_2]的合成及晶体结构

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高等学校化学学报 1998年第1期19卷 61-64页

作者：杨楚罗马胜刚秦金贵刘道玉罗保生武汉大学化学系武汉430072 武汉大学分析测试中心武汉430072

通过［CpFe（C6H6）］PF6与Na2［Ni（mnt）2］复分解反应合成了金属有机盐［CpFe（C6H6）］2·［Ni（mnt）2］，用元素分析、红外光谱和1HNMR进行了鉴定，并用X射线测定了晶体结构．结构分析表明，该化合物属于三斜晶系，空间群P1．晶... 详细信息

通过［CpFe（C6H6）］PF6与Na2［Ni（mnt）2］复分解反应合成了金属有机盐［CpFe（C6H6）］2·［Ni（mnt）2］，用元素分析、红外光谱和1HNMR进行了鉴定，并用X射线测定了晶体结构．结构分析表明，该化合物属于三斜晶系，空间群P1．晶胞参数：α＝0.838（2）nm，b＝1．084（6）nm，c＝1．816（7）nm，α＝83．41（4）°，β＝89．30（3）°，γ＝80．22（3）°，Z＝2，晶体中混式夹心的阳离子处于几乎互相垂直的取向．配阴离子平面也存在两种取向，它们形成75．4°的二面角．测试表明，化合物表现半导体属性，其粉末压片室温电导率为4．1×10-5S·cm-1．

关键词：金属有机盐晶体结构有机铁有机镍

Crystal Structure of 3, 7-Dihydroxy1-1, 5-diazacyclooctane Dihydrobromide C_6H_(14)N_2O_2. 2HBr. EtOH

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Chinese Journal of Structural Chemistry 1997年第5期16卷 338-341页

作者： LIU Yong XUE Guo-Ping WU Cheng-Tai(Department of Chemistry, Wuhan Universiry, Wuhan, 430072)luo bao-sheng CHEN Liao-Rong(Centre of Analysis and Testing, Wuhan University, Wuhan, 430072)

Crystal structure of the title mesocyclic diamine has been determinedby X-ray diffraction analysis. The crystal belongs to triclinic system, space group P1,with crystallographic parameters C6H14N2O2. 2HBr. EtOH, Mr= 354. 08, a= 7. 813(4), b=8. 109(5), c=11. 153(5) ,a=82. 50(7),β=81. 60(4),γ=75. 53(8)°, V= 673. 5 (7) , Z= 2, Dc= 1. 519g. cm-3,μ= 59. 364 cm-1 (MoKa), F(000) =356, R=0. 082,R.= 0. 095 for 2550 observed reflections with I≥3σ(I). The determination suggests that the molecular ring is folded to make the conformation look like acrown.

关键词： crystal structure mesocyclic diamine diazacyclooctane