Theoretical Insights into Dual-Metal-Site Catalysts for the Nonoxidative Coupling of Methane

ACS Catalysis ◽  
2021 ◽  
pp. 13149-13159
Author(s):  
Zheng-Qing Huang ◽  
You-Tao Chen ◽  
Chun-Ran Chang ◽  
Jun Li
Keyword(s):  
Metal Site ◽  
Dual Metal

Machine-Learning-Accelerated Catalytic Activity Predictions of Transition Metal Phthalocyanine Dual-Metal-Site Catalysts for CO2 Reduction

2021 ◽  
pp. 6111-6118
Author(s):  
Xuhao Wan ◽  
Zhaofu Zhang ◽  
Huan Niu ◽  
Yiheng Yin ◽  
Chunguang Kuai ◽  
...  
Keyword(s):  
Machine Learning ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Co2 Reduction ◽  
Metal Phthalocyanine ◽  
Metal Site ◽  
Dual Metal

Near 100% selectivity for visible-light-driven CO2 reduction to CH4 on a dual-metal site photocatalyst

2019 ◽  
Vol 62 (12) ◽  
pp. 1553-1554 ◽  
Author(s):  
Feilong Ren ◽  
Wenjun Luo ◽  
Zhigang Zou
Keyword(s):  
Visible Light ◽  
Co2 Reduction ◽  
Metal Site ◽  
Visible Light Driven ◽  
Dual Metal

Activity Origin and Design Principles for Oxygen Reduction on Dual-Metal-Site Catalysts: A Combined Density Functional Theory and Machine Learning Study

2019 ◽  
Vol 10 (24) ◽  
pp. 7760-7766 ◽  
Author(s):  
Xiaorong Zhu ◽  
Jiaxian Yan ◽  
Min Gu ◽  
Tianyang Liu ◽  
Yafei Dai ◽  
...  
Keyword(s):  
Machine Learning ◽  
Density Functional Theory ◽  
Oxygen Reduction ◽  
Density Functional ◽  
Design Principles ◽  
Learning Study ◽  
Functional Theory ◽  
Metal Site ◽  
Dual Metal

Rational design of dual-metal-site catalysts for electroreduction of carbon dioxide

2020 ◽  
Vol 8 (31) ◽  
pp. 15809-15815 ◽  
Author(s):  
Gan Luo ◽  
Yu Jing ◽  
Yafei Li
Keyword(s):  
Carbon Dioxide ◽  
Rational Design ◽  
Metal Site ◽  
Scaling Relationship ◽  
Dual Metal

Dual-metal-site catalysts could exhibit superior activity for CO2 electroreduction to CO due to the breaking of scaling relationship.

Visible-light photocatalytic selective oxidation of C(sp3)-H bonds by anion-cation dual-metal-site nanoscale localized carbon nitride

2021 ◽  
Author(s):  
Yingying Wang ◽  
Peihe Li ◽  
Jinghui Wang ◽  
Zhifei Liu ◽  
Yin Wang ◽  
...  
Keyword(s):  
Visible Light ◽  
Selective Oxidation ◽  
Carbon Nitride ◽  
Oxygen Radical ◽  
Active Oxygen ◽  
Carbonyl Groups ◽  
Metal Site ◽  
Highly Active ◽  
Dual Metal ◽  
Visible Light Photocatalytic

Selective oxidation of C(sp3)-H bonds to carbonyl groups through abstracting H with a photoinduced highly active oxygen radical is an effective method to give high value products. Here, we report...

Self-adaptive dual-metal-site pairs in metal-organic frameworks for selective CO2 photoreduction to CH4

2021 ◽  
Vol 4 (8) ◽  
pp. 719-729
Author(s):  
Jian Li ◽  
Hongliang Huang ◽  
Wenjuan Xue ◽  
Kang Sun ◽  
Xiaohui Song ◽  
...  
Keyword(s):  
Metal Organic Frameworks ◽  
Co2 Photoreduction ◽  
Metal Site ◽  
Metal Organic ◽  
Dual Metal ◽  
Self Adaptive

LOCAL SYMMETRY AT THE 3d METAL SITE AND CHEMICAL ORDER IN AMORPHOUS AND CRYSTALLINE Ni1-xBx

1985 ◽  
Vol 46 (C8) ◽  
pp. C8-217-C8-221 ◽  
Author(s):  
M. Maurer ◽  
A. Mehdaoui ◽  
J. M. Friedt
Keyword(s):  
Local Symmetry ◽  
Chemical Order ◽  
Metal Site

Redox Potential - (Electronic) Structure Relationships in 18- and 17-Electron Mononitrile (or Monocarbonyl) Diphosphine Complexes of Re and Fe

2001 ◽  
Vol 66 (1) ◽  
pp. 139-154 ◽  
Author(s):  
M. Fátima C. Guedes Da Silva ◽  
Luísa M. D. R. S. Martins ◽  
João J. R. Fraústo Da Silva ◽  
Armando J. L. Pombeiro
Keyword(s):  
Cyclic Voltammetry ◽  
Electronic Structure ◽  
Binding Sites ◽  
Closed Shell ◽  
Carbonyl Complexes ◽  
Metal Centre ◽  
Pt Electrode ◽  
Metal Site ◽  
Oxidation Potentials ◽  
First Time

The organonitrile or carbonyl complexes cis-[ReCl(RCN)(dppe)2] (1) (R = 4-Et2NC6H4 (1a), 4-MeOC6H4 (1b), 4-MeC6H4 (1c), C6H5 (1d), 4-FC6H4 (1e), 4-ClC6H4 (1f), 4-O2NC6H4 (1g), 4-ClC6H4CH2 (1h), t-Bu (1i); dppe = Ph2PCH2CH2PPh2), or cis-[ReCl(CO)(dppe)2] (2), as well as trans-[FeBr(RCN)(depe)2]BF4 (3) (R = 4-MeOC6H4 (3a), 4-MeC6H4 (3b), C6H5 (3c), 4-FC6H4 (3d), 4-O2NC6H4 (3e), Me (3f), Et (3g), 4-MeOC6H4CH2 (3h); depe = Et2PCH2CH2PEt2), novel trans-[FeBr(CO)(depe)2]BF4 (4) and trans-[FeBr2(depe)2] (5) undergo, as revealed by cyclic voltammetry at a Pt-electrode and in aprotic non-aqueous medium, two consecutive reversible or partly reversible one-electron oxidations assigned as ReI → ReII → ReIII or FeII → FeIII → FeIV. The corresponding values of the oxidation potentials IE1/2ox and IIE1/2ox (waves I and II, respectively) correlate with the Pickett's and Lever's electrochemical ligand and metal site parameters. This allows to estimate these parameters for the various nitrile ligands, depe and binding sites (for the first time for a FeIII/IV couple). The electrochemical ligand parameter show dependence on the "electron-richness" of the metal centre. The values of IE1/2ox for the ReI complexes provide some supporting for a curved overall relationship with the sum of Lever's electrochemical ligand parameter. The Pickett parametrization for closed-shell complexes is extended now also to 17-electron complexes, i.e. with the 15-electron ReII and FeIII centres in cis-{[ReCl(dppe)2]}+ and trans-{FeBr(depe)2}2+, respectively.

Metal Wet Etch Process Development for Dual Metal Gate CMOS

2005 ◽  
Vol 8 (12) ◽  
pp. G333 ◽  
Author(s):  
Muhammad Mustafa Hussain ◽  
Naim Moumen ◽  
Joel Barnett ◽  
Jason Saulters ◽  
David Baker ◽  
...  
Keyword(s):  
Process Development ◽  
Metal Gate ◽  
Dual Metal ◽  
Wet Etch
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