Metallomicelle templated transition metal nanostructures: synthesis, characterization, DFT study and catalytic activity

2017 ◽  
Vol 19 (28) ◽  
pp. 18372-18382 ◽  
Author(s):  
Ravneet Kaur ◽  
S. K. Mehta
Keyword(s):  
Catalytic Activity ◽  
Transition Metal ◽  
Dft Study ◽  
Metal Nanostructures ◽  
Surface Modified

A simple and versatile protocol to achieve surface-modified catalytically efficient nanoparticles employing metallosurfactants as excellent scaffolds has been reported.

scholarly journals Catalytic activity of transition metal doped Cu(111) surfaces for ethanol synthesis from acetic acid hydrogenation: a DFT study

RSC Advances ◽  
2017 ◽  
Vol 7 (3) ◽  
pp. 1443-1452 ◽  
Author(s):  
Minhua Zhang ◽  
Rui Yao ◽  
Haoxi Jiang ◽  
Guiming Li ◽  
Yifei Chen
Keyword(s):  
Acetic Acid ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Dft Study ◽  
Metal Doped ◽  
Ethanol Synthesis

The effects of transition metal dopants on Cu(111) surfaces for ethanol synthesis from acetic acid hydrogenation are investigated.

A comparative DFT study of the catalytic activity of the 3d transition metal sulphides surfaces

2002 ◽  
Vol 518 (1-2) ◽  
pp. 163-173 ◽  
Author(s):  
R Gómez-Balderas ◽  
R Oviedo-Roa ◽  
J.M Martı́nez-Magadán ◽  
C Amador ◽  
D.A Dixon
Keyword(s):  
Catalytic Activity ◽  
Transition Metal ◽  
Dft Study

The effect of partial exchange of sulphonated macroporous styrene-divinylbenzene copolymers for different ions on their catalytic activity

1981 ◽  
Vol 46 (10) ◽  
pp. 2354-2363 ◽  
Author(s):  
Svatomír Kmošták ◽  
Karel Setínek
Keyword(s):  
Catalytic Activity ◽  
Transition Metal ◽  
Metal Ions ◽  
Gas Phase ◽  
Transition Metal Ions ◽  
Exchange Capacity ◽  
Total Exchange Capacity ◽  
Styrene Divinylbenzene ◽  
Na Ions ◽  
Type Of Transition

The catalytic activity of sulphonated macroporous styrene-divinylbenzene copolymers, the exchange capacity of which was neutralized from 30, 50 and 80% by Fe(III) ions and from 30% by Na ions and that of Wofatit Y-37 ion exchanger neutralized from 10% of its total exchange capacity by several transition metal ions and by sodium has been studied in isomerisation of cyclohexene and dehydration of 1-propanol in the gas phase at 130 °C. It was demonstrated that in both reactions transition metal ions exhibit additional effect to the expected neutralization of the polymer acid groups. In the case of cyclohexene isomerization, this effect depends on the degree of crosslinking of polymer mass of the catalyst. Such dependence has not been, however, observed in dehydration of 1-propanol. The type of transition metal ions did not exhibit any significant effect on the catalytic activity of the polymer catalysts studied.

Endo- and exohedral chloro-fulleride as η5 ligands: A DFT study on the first-row transition metal complexes

2021 ◽  
Author(s):  
Sebastian Anila ◽  
Cherumuttathu Hariharan Suresh
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Dft Study ◽  
C60 Fullerene ◽  
Ring Fusion ◽  
Coordination Modes

C60 fullerene coordinates to transition metals in η2-fashion through its C-C bond at [6,6] ring fusion whereas other coordination modes η3, η4, η5 and η6 are rarely observed. The coordination...

Electronic structure modulation of NiS2 by transition metal doping for accelerating the hydrogen evolution reaction

2019 ◽  
Vol 7 (9) ◽  
pp. 4971-4976 ◽  
Author(s):  
Tongtong Wang ◽  
Xiaosong Guo ◽  
Jingyan Zhang ◽  
Wen Xiao ◽  
Pinxian Xi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Hydrogen Evolution Reaction ◽  
Systematic Study ◽  
First Principles ◽  
Transition Metal Doping ◽  
First Principles Calculations ◽  
Structure Modulation ◽  
Metal Doped

We give a systematic study of the HER catalytic activity of transition metal doped NiS2 by first principles calculations and experiments.

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