Search engine for discovering works of Art, research articles, and books related to Art and Culture
Javascript must be enabled to continue!
UNDERSTANDING INSIGHT OF METHANOL ADSORPTION ON 2 ATOMIC COPPER DEPOSITED OVER ZNO(10¯1 0) SURFACE: A DFT STUDY
View through CrossRef
In this study, depositing with two copper atoms (2Cu) on ZnOsurface, obtaining 2Cu/ZnO surface model, and its applications then for adsorbed CH3OH were investigated using the density functional theory (DFT). In performances, 2Cu was adsorbed on ZnOsurface to form the model of 2Cu deposited over ZnO (2Cu/ZnO). Further, on 2Cu/ZnO surface model, the resulted analysis as density of state (DOS) and electron density difference (EDD) contour plot pointed out that two atomic Cu were formed by the transferred electrons from Cu to ZnO, leading Cu oxidation to become Cu+ ion, while was modeled 2Cu/ZnOsurface. To investigate CH3OH adsorption, many configurations of adsorbed CH3OH on the surface found, in which the most stable configurations were also identified. This result presented that methanol adsorption on 2Cu/ZnO is more favorable than that on ZnO in our previous works.
Industrial University of Ho Chi Minh City (IUH)
Title: UNDERSTANDING INSIGHT OF METHANOL ADSORPTION ON 2 ATOMIC COPPER DEPOSITED OVER ZNO(10¯1 0) SURFACE: A DFT STUDY
Description:
In this study, depositing with two copper atoms (2Cu) on ZnOsurface, obtaining 2Cu/ZnO surface model, and its applications then for adsorbed CH3OH were investigated using the density functional theory (DFT).
In performances, 2Cu was adsorbed on ZnOsurface to form the model of 2Cu deposited over ZnO (2Cu/ZnO).
Further, on 2Cu/ZnO surface model, the resulted analysis as density of state (DOS) and electron density difference (EDD) contour plot pointed out that two atomic Cu were formed by the transferred electrons from Cu to ZnO, leading Cu oxidation to become Cu+ ion, while was modeled 2Cu/ZnOsurface.
To investigate CH3OH adsorption, many configurations of adsorbed CH3OH on the surface found, in which the most stable configurations were also identified.
This result presented that methanol adsorption on 2Cu/ZnO is more favorable than that on ZnO in our previous works.
Related Results
CO-ADSORPTION CALCULATIONS OF CO AND H2O MOLECULES ON ATOMIC CU CLUSTER DEPOSITED ZNO SURFACE: A DENSITY FUNCTIONAL THEORY STUDY
CO-ADSORPTION CALCULATIONS OF CO AND H2O MOLECULES ON ATOMIC CU CLUSTER DEPOSITED ZNO SURFACE: A DENSITY FUNCTIONAL THEORY STUDY
Calculations of adsorption and reaction mechanism on ZnO surface have been investigated. In this work, the deposition of six atomic copper clusters (6Cu) on ZnO surface (called 6...
Effect of synthesized carbon quantum dots on the photocatalytic properties of ZnO
Effect of synthesized carbon quantum dots on the photocatalytic properties of ZnO
ABSTRACT. In this work, synthesized carbon quantum dots (CQDs) and zinc oxide nanoparticles (ZnO NPs) are used to form ZnO/CQDs nanocomposite. The characterization of this nanocomp...
PREPARATION OF ZNO/SEPIOLITE COMPOSITE AND ITS PHOTOCATALYTIC PERFORMANCE FOR THE WATER DECONTAMINATION
PREPARATION OF ZNO/SEPIOLITE COMPOSITE AND ITS PHOTOCATALYTIC PERFORMANCE FOR THE WATER DECONTAMINATION
The photocatalysis technology has become an important means to control environmental pollutions especially water pollution. A new ZnO/sepiolite composite was prepared using the sol...
Fast and Effective Removal of Congo Red by Doped ZnO Nanoparticles
Fast and Effective Removal of Congo Red by Doped ZnO Nanoparticles
ZnO nanoparticles (NPs) show remarkable efficiency in removing various contaminants from aqueous systems. Doping ZnO NPs with a second metal element can dramatically change the phy...
Preparation of Nylon Based Magnetic Adsorption Materials and Their Adsorption Properties for Heavy Metal Ions
Preparation of Nylon Based Magnetic Adsorption Materials and Their Adsorption Properties for Heavy Metal Ions
Abstract
Wastewater containing heavy metal ions poses great harm to human health and the environment. The adsorption materials used in traditional adsorption methods, such ...
Interface Engineering in Emerging Thin Film Photovoltaics
Interface Engineering in Emerging Thin Film Photovoltaics
This thesis explores interface engineering in emerging photovoltaics with the aim of designing selective contact layer to reduce recombination losses. I present the motivation and ...
Study on fabrication of ZnO@TiO2 nanocomposite for perozone degradation of amoxicillin from aqueous solution
Study on fabrication of ZnO@TiO2 nanocomposite for perozone degradation of amoxicillin from aqueous solution
In this study, a simple method for fabrication of a ZnO@TiO2 nanocomposite was developed to degrade amoxicillin (AMX) from aqueous solution by heterogeneous ...
One pot synthesis and characterization of visible light responsive ZnO/CuO composites for efficient photocatalytic degradation of methylene blue
One pot synthesis and characterization of visible light responsive ZnO/CuO composites for efficient photocatalytic degradation of methylene blue
Industrial wastewater is a major contributor to water pollution, posing significant health risks and necessitating effective purification to prevent resource contamination. Organic...