scholarly journals New insights into the electrochemical hydrogen oxidation and evolution reaction mechanism

2014 ◽  
Vol 7 (7) ◽  
pp. 2255-2260 ◽  
Author(s):  
J. Durst ◽  
A. Siebel ◽  
C. Simon ◽  
F. Hasché ◽  
J. Herranz ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Hydrogen Oxidation ◽  
Supported Catalysts ◽  
Effect Of Ph ◽  
First Time

The effect of pH on the hydrogen oxidation and evolution reaction (HOR/HER) rates is addressed for the first time for the three most active monometallic surfaces: Pt, Ir, and Pd carbon-supported catalysts.

A quantum-based molecular dynamics study of the ICM-102/HNO3 host–guest reaction at high temperatures

2020 ◽  
Vol 22 (46) ◽  
pp. 27002-27012
Author(s):  
Yiwen Xiao ◽  
Lang Chen ◽  
Deshen Geng ◽  
Kun Yang ◽  
Jianying Lu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Reaction Mechanism ◽  
High Temperatures ◽  
First Time

The quantum-based MD method is used to investigate the reaction mechanism of a host–guest explosive system for the first time.

scholarly journals Density functional study on the CO oxidation reaction mechanism on MnN2-doped graphene

RSC Advances ◽  
2020 ◽  
Vol 10 (46) ◽  
pp. 27856-27863
Author(s):  
Mingming Luo ◽  
Zhao Liang ◽  
Chao Liu ◽  
Xiaopeng Qi ◽  
Mingwei Chen ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Co Oxidation ◽  
Oxidation Reaction ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Co Oxidation Reaction ◽  
Doped Graphene ◽  
First Time

The various COOR mechanisms on MnN2-doped graphene (MnN2C2: MnN2C2-hex, MnN2C2-opp, MnN2C2-pen) were investigated for the first time.

scholarly journals Fast and selective detection of volatile organic compounds using a novel pseudo spin-ladder compound CaCu2O3

2020 ◽  
Vol 1 (7) ◽  
pp. 2368-2379
Author(s):  
N. Lavanya ◽  
G. Veerapandi ◽  
S. G. Leonardi ◽  
N. Donato ◽  
G. Neri ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Volatile Organic Compounds ◽  
Gas Sensor ◽  
Organic Compounds ◽  
Spin Ladder ◽  
Selective Detection ◽  
Volatile Organic ◽  
First Time

A novel pseudo spin-ladder CaCu2O3 compound (2-leg) based conductometric gas sensor has been proposed, for the first time, for the detection of volatile organic compounds (VOCs); (a) the proposed reaction mechanism in air, and (b) in the presence of acetone and ethanol.

Metal-Free Addition of Boronic Acids to Silylnitronates

Synlett ◽  
2020 ◽  
Vol 31 (09) ◽  
pp. 856-860
Author(s):  
Laurent El Kaïm ◽  
Mansour Dolé Kerim ◽  
Pakoupati Boyode ◽  
Julian Garrec
Keyword(s):  
Reaction Mechanism ◽  
Double Bond ◽  
Boronic Acids ◽  
Dft Study ◽  
Metal Free ◽  
Nitro Derivatives ◽  
Oxime Derivatives ◽  
Nitrogen Double Bond ◽  
First Time ◽  
Aryl Transfer

We report for the first time a metal-free addition of boronic acids to silylnitronates to afford oxime derivatives through aryl transfer on the carbon nitrogen double bond. A reaction mechanism has been proposed in relation with a DFT study on the key aryl transfer. This arylation process is effective for cycloalkenyl nitro derivatives leading to oximes that may be oxidatively converted into 3-arylisoxazole derivatives.

Well-defined nickel(II) tetrazole-saccharinate complex as homogeneous catalyst on the reduction of aldehydes: scope and reaction mechanism

2020 ◽  
Vol 92 (1) ◽  
pp. 151-166 ◽  
Author(s):  
Luís M. T. Frija ◽  
Bruno G. M. Rocha ◽  
Maxim L. Kuznetsov ◽  
Lília I. L. Cabral ◽  
M. Lurdes S. Cristiano ◽  
...  
Keyword(s):  
Experimental Data ◽  
Reaction Mechanism ◽  
Transition Metal ◽  
Dft Calculations ◽  
Microwave Power ◽  
Low Temperatures ◽  
Nickel Complex ◽  
Transition Metal Catalysts ◽  
Homogeneous Catalyst ◽  
First Time

AbstractA new (tetrazole-saccharin)nickel complex is shown to be a valuable catalyst for the hydrosilative reduction of aldehydes under microwave radiation at low temperatures. With typical 1 mol% content of the catalyst (microwave power range of 5–15 W) most reactions are complete within 30 min. The Ni(II)-catalyzed reduction of aldehydes, with a useful scope, was established for the first time by using this catalyst, and is competitive with the most effective transition-metal catalysts known for such transformation. The catalyst reveals tolerance to different functional groups, is air and moisture stable, and is readily prepared in straightforward synthetic steps. Supported by experimental data and DFT calculations, a plausible reaction mechanism involving the new catalytic system is outlined.

The diurnal variability of sulfate and nitrate aerosols during wintertime in the Indo-Gangetic Plain: implications for heterogeneous phase chemistry

RSC Advances ◽  
2016 ◽  
Vol 6 (92) ◽  
pp. 89879-89887 ◽  
Author(s):  
Prashant Rajput ◽  
Tarun Gupta ◽  
Anil Kumar
Keyword(s):  
Reaction Mechanism ◽  
Gangetic Plain ◽  
Diurnal Variability ◽  
Heterogeneous Formation ◽  
Heterogeneous Phase ◽  
Phase Chemistry ◽  
First Time ◽  
Indo Gangetic Plain

Based on daytime and nighttime field-based observations we propose for the first-time the reaction mechanism for the heterogeneous formation of sulfate and nitrate aerosols.

Oxidative Activity of Hydrogen on Nickel and Inconel

2012 ◽  
Vol 134 (6) ◽  
Author(s):  
Kimberly N. Urness ◽  
G. Barney Ellison ◽  
John W. Daily
Keyword(s):  
Stainless Steel ◽  
Reaction Mechanism ◽  
Hydrogen Oxidation ◽  
Surface Oxidation ◽  
Flow Conditions ◽  
Kinetic Reaction ◽  
Tubular Reactors ◽  
Catalytically Active ◽  
Flame Flashback ◽  
Infrared Diagnostics

Experiments were carried out to determine whether nickel or Inconel are catalytically active for hydrogen oxidation. The work was motivated by the problem of flame flashback and/or inlet preignition in hydrogen-rich syngas fueled premixed/prevaporized gas turbine combustors. The experiments were performed using small resistively heated tubular reactors with matrix isolation/infrared diagnostics. Reactors were manufactured from stainless steel, nickel and Inconel. For the flow conditions studied, the conversion efficiency was about 3% for the nickel reactor and 0.9% for the Inconel reactor. No activity was seen for stainless steel. Comparison with a published surface kinetic reaction mechanism for nickel suggests that the surface oxidation rate of H2 in our reactors is about two orders of magnitude less than for specially prepared surfaces.

Hydrodeoxygenation of Phenol over Zirconia-Supported Catalysts: The Effect of Metal Type on Reaction Mechanism and Catalyst Deactivation

ChemCatChem ◽  
2017 ◽  
Vol 9 (14) ◽  
pp. 2850-2863 ◽  
Author(s):  
Camila A. Teles ◽  
Raimundo C. Rabelo-Neto ◽  
Gary Jacobs ◽  
Burtron H. Davis ◽  
Daniel E. Resasco ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Catalyst Deactivation ◽  
Supported Catalysts ◽  
Metal Type
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