scholarly journals The Influence of Tyrozine on Energetic Property in Graphene Oxide: A DFT Study

2014 ◽  
Vol 30 (1) ◽  
pp. 57-62 ◽  
Author(s):  
Roya Ahmadi ◽  
Reza Soleymani
Keyword(s):  
Graphene Oxide ◽  
Dft Study ◽  
Energetic Property

Adsorption and dehydrogenation of ethane, propane and butane on Rh13 clusters supported on unzipped graphene oxide and TiO2(110) – a DFT study

2017 ◽  
Vol 19 (7) ◽  
pp. 4989-4996 ◽  
Author(s):  
Chun-Chih Chang ◽  
Chi-You Liu ◽  
Shiuan-Yau Wu ◽  
Ming-Kang Tsai
Keyword(s):  
Graphene Oxide ◽  
Catalytic Activity ◽  
Dft Study ◽  
Graphene Oxide Sheet ◽  
Low Symmetry

The catalytic activity for the adsorption and dehydrogenation of alkanes on a low-symmetry Rh13 cluster (Rh13-Ls) is compared with the same cluster supported on either an unzipped graphene-oxide sheet or a TiO2(110) surface.

Trends of amino acid adsorption onto graphene and graphene oxide surfaces: a dispersion corrected DFT study

RSC Advances ◽  
2015 ◽  
Vol 5 (113) ◽  
pp. 92843-92857 ◽  
Author(s):  
H. Tavassoli Larijani ◽  
M. Darvish Ganji ◽  
M. Jahanshahi
Keyword(s):  
Amino Acids ◽  
Graphene Oxide ◽  
Amino Acid ◽  
Adsorption Properties ◽  
Dft Study ◽  
Oxide Surfaces ◽  
First Principle ◽  
First Principle Calculations

First-principle calculations based on DFT were performed to investigate the adsorption properties of amino acids onto graphene surfaces.

Effective methane conversion to methanol on bi-functional graphene-oxide-supported platinum nanoclusters (Pt5) – a DFT study

2020 ◽  
Vol 22 (9) ◽  
pp. 4967-4973 ◽  
Author(s):  
Chun-Chih Chang ◽  
Chi-You Liu ◽  
Ying-Chieh Sun
Keyword(s):  
Energy Source ◽  
Graphene Oxide ◽  
Methane Conversion ◽  
High Performance ◽  
Dft Study ◽  
Supported Platinum ◽  
Functional Graphene Oxide ◽  
Platinum Nanoclusters

Nowadays identifying a high-performance catalyst for converting methane to methanol is crucial because methanol serves as an excellent energy source and has wide chemical applications.

DFT study of graphene oxide reduction by a dopamine species

2019 ◽  
Vol 118 (5) ◽  
pp. e1637029 ◽  
Author(s):  
Nicolás Domancich ◽  
Ana Rossi Fernández ◽  
Lorena Meier ◽  
Silvia Fuente ◽  
Norberto Castellani
Keyword(s):  
Graphene Oxide ◽  
Dft Study ◽  
Oxide Reduction

Dissociation of CO2 on rhodium nanoclusters (Rh13) in various structures supported on unzipped graphene oxide – a DFT study

2015 ◽  
Vol 17 (16) ◽  
pp. 11028-11035 ◽  
Author(s):  
Chun-Chih Chang ◽  
Jia-Jen Ho
Keyword(s):  
Carbon Dioxide ◽  
Graphene Oxide ◽  
Dft Study ◽  
Icosahedral Structure

Carbon dioxide could readily dissociate to form CO on an unzipped graphene oxide supported icosahedral structure of Rh13 (Rh13-Ih/UGO).

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