A principle of the enhancement of CO adsorption was developed theoretically by using density functional theory through doping Al into graphene. The results show that the Al doped graphene has strong chemisorption of CO molecule by forming Al-CO bond, where CO onto intrinsic graphene remains weak physisorption. Furthermore, the enhancement of CO sensitivity in the Al doped graphene is determined by a large electrical conductivity change after adsorption, where CO absorption leads to increase of electrical conductivity via introducing large amount of shallow acceptor states. Therefore, this newly developed Al doped graphene would be an excellent candidate for sensing CO gas. © 2008 Elsevier B.V. All rights reserved
The first-principles calculations are performed to study the gas (NH<sub>3</sub>, NO<sub>2</sub>, NO...
The effect of the Al dopant on the dissociative adsorption of a H 2O molecule on graphene is investi...
The adsorption of several common gas molecules over boron-, nitrogen-, aluminum-, and sulfur-doped g...
The interactions between four different graphenes (including pristine, B- or N-doped and defective g...
The interaction of pure graphene nano sheet and Al-doped graphene nano sheet with SO2 pollutant gas ...
In this project work, we have performed Density Functional Theory (DFT) calculations to study the ga...
AbstractThe adsorptions of small gas molecules (CO, NO and NO2) on group III (B, Al and Ga) doped gr...
Layered materials, such as graphene, have attracted increasing interests since they can be extensive...
Decoration of graphene with metals and metal-oxides is known to be one of the effective methods to e...
Herein, we have used density functional theory (DFT) to investigate the adsorption behavior of gas m...
AbstractThe adsorptions of small gas molecules (CO, NO and NO2) on group III (B, Al and Ga) doped gr...
In this work, four armchair graphene nanoribbon (AGNR) based sensor materials were built using Atomi...
Graphene is a single layer of graphite with a hexagonal structure, or an individual sheet of sp 2-hy...
Understanding the interaction mechanisms of CO, NO, SO2, and HCHO with graphene are important in dev...
We have performed density functional theory (DFT) calculations to study the gas (CO, CO<sub>2</sub>,...
The first-principles calculations are performed to study the gas (NH<sub>3</sub>, NO<sub>2</sub>, NO...
The effect of the Al dopant on the dissociative adsorption of a H 2O molecule on graphene is investi...
The adsorption of several common gas molecules over boron-, nitrogen-, aluminum-, and sulfur-doped g...
The interactions between four different graphenes (including pristine, B- or N-doped and defective g...
The interaction of pure graphene nano sheet and Al-doped graphene nano sheet with SO2 pollutant gas ...
In this project work, we have performed Density Functional Theory (DFT) calculations to study the ga...
AbstractThe adsorptions of small gas molecules (CO, NO and NO2) on group III (B, Al and Ga) doped gr...
Layered materials, such as graphene, have attracted increasing interests since they can be extensive...
Decoration of graphene with metals and metal-oxides is known to be one of the effective methods to e...
Herein, we have used density functional theory (DFT) to investigate the adsorption behavior of gas m...
AbstractThe adsorptions of small gas molecules (CO, NO and NO2) on group III (B, Al and Ga) doped gr...
In this work, four armchair graphene nanoribbon (AGNR) based sensor materials were built using Atomi...
Graphene is a single layer of graphite with a hexagonal structure, or an individual sheet of sp 2-hy...
Understanding the interaction mechanisms of CO, NO, SO2, and HCHO with graphene are important in dev...
We have performed density functional theory (DFT) calculations to study the gas (CO, CO<sub>2</sub>,...
The first-principles calculations are performed to study the gas (NH<sub>3</sub>, NO<sub>2</sub>, NO...
The effect of the Al dopant on the dissociative adsorption of a H 2O molecule on graphene is investi...
The adsorption of several common gas molecules over boron-, nitrogen-, aluminum-, and sulfur-doped g...