In experiment [1],the bilayer graphene dominates over 89% of the whole substrate on Ni1Cu9 surface.It is hard to observe the growth process of uniform bilayer graphene.
Water-gas shift(WGS),a key step in the conversion of fossil fuel to hydrogen,is of particular importance because of its potential use in supplying hydrogen for low temperature fuel cells.
Transition metal oxide is one of important heterogeneous catalysts for NO reduction.In this work,we studied the NO reduction by CO on the predominantly expose Co3O4(110)-B surface by density functiona
On the basis of density functional theory method(GGA-PBE)and ab initio atomistic thermodynamics water dissociative adsorption on the clean and O-pre-covered Fe(110),Fe(100)and Fe(111)surfaces at diffe
The structures of nitric acid with ammonia(NH3)n(HNO3)m(1 ≤ n,m ≤ 4) in atmospheric aerosols are investigated using density functional theory(DFT) calculations to sample and search stable configuratio
Excited-state multiple proton transfer(ESMPT) reactions in 7-azaindole(7AI) with water,mixed water-ammonia,and ammonia molecules were investigated by quantum dynamics simulations on the first-excited
High selectively synthesis from syngas to ethanol is the important way to further improve the economic benefits in the underground coal gasification,ethanol as alternative to petroleum-derived fuels c