Porous metal–organic frameworks (MOFs) represent a new type of functional materials and have recently become a hot research field due to their great potential in various applications. In this review, recent progress of gas adsorption applications of porous MOFs, mainly including hydrogen storage, methane storage, and selective gas adsorption will be briefly summarized.

The influence of surface modification of activated carbon on the adsorption of methyl mercaptan in N(2) was investigated. The modification of the activated carbon was carried out by treatment with HNO(3)/H(2)SO(4) solutions, heat-treatment in Ar, and adsorption of cetylamine. Acid-treatment increased the adsorption of methyl mercaptan compared with the original activated carbon, and the adsorbe...

The adsorption of a single Ag atom on both clear Si(111)-7 × 7 and 19 hydrogen terminated Si(111)-7 × 7 (hereafter referred as 19H-Si(111)-7 × 7) surfaces has been investigated using first-principles calculations. The results indicated that the pre-adsorbed H on Si surface altered the surface electronic properties of Si and influenced the adsorption properties of Ag atom on the H terminated Si ...

We optimized the geometries of the graphene and graphene with hydrogen using PW91VWN, PWCIPL,MPWLYP, G96LYP, G96141.0-210.6-310, 6-31G*Ievels of theory and compared our results with each other.We present the most important structural parameters determined for the addition of a hydrogen atom tographene and the outward movement of the carbon atom that is bonded to hydrogen is 0.48 A Also wecalcul...

The adsorption of H2O on Ru(001) at temperatures of 95 K and 165 K has been investigated using electron energy loss spectroscopy, low-energy electron diffraction, and ultraviolet photoelectron spectroscopy. The vibrational data, together with the structural information available, supports a model in which aggregates of water molecules form via population of a first (chemisorbed) layer and subse...

The relaxation of the field ionisation rate after depletion of a tungsten surface is studied for hydrogen and helium with a pulsed laser atom probe. The reduction of the field ion rate and its recovery to a steady state value within some milliseconds is due to a correlation between field ion rate and surface coverage. Three possible models are discussed for explaining the enhancement of the rat...

A practical method for finding free energy barriers for transitions in high-dimensional classical and quantum systems is presented and used to calculate the dissociative sticking probability of H 2 on a metal surface within transition state theory. The reversible work involved in shifting the system confined to a hyperplane from the reactant region towards products is evaluated directly. Quantu...