New materials with distinctive properties are arising and attracting the scientific community
at regular intervals. Stiffness and strength are the important factors in determining stability …

Sensitivity of Fe-decorated graphene with three different graphene-based supports (single
vacancy, double vacancy and four nitrogen decorated) toward toxic gas CO and NO has …

Out of all the 2D materials discovered until now, Graphene has been the hot topic to date.
Graphene is a two dimensional-sp 2 bonded, single-layer membrane of a carbon atom …

Density functional theory calculations were used to study the adsorption of NO on Ni n
cluster (n= 1, 2, 3 and 4) doped graphene with different graphene-based support (single …

Mercury pollution from coal-fired power plants is a severe environmental issue globally.
Although integrated removal facilities can achieve ultra-low emissions, there is still a need to …

Abstract Arsenic species (As 4, As 2 and AsH 3) released during the coal gasification
process can cause significant damage to human health and the environment. In this work …

Highlights•The adsorption characteristics and the catalytic activation of O 2 on Nin/SV-GS
(n= 1, 2, 3 and 4) is revealed.•The support effect has a significant effect on the adsorption …

Herein, the adsorption characteristics of graphene substrates modified through a combined
single manganese atom with a vacancy or four nitrogen to CH2O, H2S and HCN, are …

Abstract Machine Learning (ML), a subset of Artificial Intelligence has been widely applied in
various domains, but it has only just begun to be employed in the field of engineering. In the …

The Young's modulus and fracture strength of single and bilayer graphene (BLGr) grown by
chemical vapour deposition (CVD) were determined using atomic force microscopy-based …