Water is the key to life in our planet. As one of the most abundant resources on the earth,
water may play important roles in chemical reactions in addition to being a reaction medium …

Since the fluctuation and uneven distribution of solar energy seriously restrict its integration
in the power mix, it is of great significance to promote cross-regional solar energy …

Methanol steam reforming (MSR) is promising in hydrogen production. Cu-SBA-15 and Cu–
Ce/SBA-15-I suffer poor selectivity owing to sluggish steam activation on Cu 0-SBA-15. And …

Aldol condensation is a key C—C coupling reaction for upgrading of biomass-derived
oxygenates to fuels and chemicals. Here, we investigate the effects of added water on the …

The methanol decomposition reaction has gained substantial attention due to the wide
range of applications that its intermediates offer. In this work, methanol (CH 3 OH) …

Elemental mercury oxidation mechanism by gaseous advanced oxidation method was
studied using density functional theory on Fe 3 O 4 (1 1 1) surface containing H 2 O 2 …

The most formidable challenge in each CO2 capture technology lies in its high energy
consumption, which mainly results from slow CO2 desorption kinetics in every chemisorption …

The catalytic behavior of Cu surfaces in the anhydrous production of aldehydes from
alcohols, a process of industrial significance, is puzzling: the two simplest alcohols …

Catalytic steam reforming of acetic acid can be divided into two steps, ie acetic acid
decomposition followed by water gas shift. While theoretical studies have been devoted to …

Periodic density functional theory is used to study adsorption and first step dissociation of
methanol on M-doped carbon nanotubes (M= B, Al, Pt, N, and P) as a single atom catalyst …