Borophene Is a Promising 2D Allotropic Material for Biomedical Devices

Fluorographane: a promising material for bipolar doping of MoS2.

Using first principles calculations we investigate the structural and electronic properties of interfaces between fluorographane and MoS2. Unsymmetrical functionalization of graphene with H and F results in an intrinsic dipole moment perpendicular to the plane of the buckled graphene skeleton. Depending on the orientation of this dipole moment, the electronic properties of a physically absorbed...

Clathrate hydrogen hydrate--a promising material for hydrogen storage.

Hydrogen is viewed as a promising clean fuel of the future. A low-cost hydrogen storage technology that provides a high storage capacity and fast kinetics is a critical factor in the development of a hydrogen economy for transportation. The technologies to store hydrogen can be classified into three types: compression, liquefaction, and storage in a solid material. 2] Compressing hydrogen requi...

Monohydrocalcite: a promising remediation material for hazardous anions.

The formation conditions, solubility and stability of monohydrocalcite (MHC, CaCO3·H2O), as well as sorption behaviors of toxic anions on MHC, are reviewed to evaluate MHC as a remediation material for hazardous oxyanions. MHC is a rare mineral in geological settings that occurs in recent sediments in saline lakes. Water temperature does not seem to be an important factor for MHC formation. The...

Graphdiyne as a promising material for detecting amino acids

The adsorption of glycine, glutamic acid, histidine and phenylalanine on single-layer graphdiyne/graphene is investigated by ab initio calculations. The results show that for each amino acid molecule, the adsorption energy on graphdiyne is larger than the adsorption energy on graphene and dispersion interactions predominate in the adsorption. Molecular dynamics simulations reveal that at room t...

Mannan as a Promising Bioactive Material for Drug Nanocarrier Systems