This review describes recent advances in two-dimensional MoS2 nanosheets and their composite materials for understanding their high-electrocatalytic performance in HER and ORR.
Charge transport properties of thiophene, thiazole and thiazolothiazole based oligomers have been studied using electronic structure calculations. The charge transport parameters such as charge transfer integral and site energy are calculated through matrix elements of Kohn-Sham Hamiltonian. The reorganization energy for the presence of excess positive and negative charges and rate of charge transfer calculated from Marcus theory are used to find the mobility of charge carriers. The effect of structural fluctuations on charge transport was studied through the polaron hopping model. Theoretical results show that for the studied oligomers, the charge transfer kinetics follows the static non-Condon effect and the charge transfer decay at particular site is exponential, non-dispersive and the rate coefficient is time independent. It has been observed that the thiazole derivatives have good hole and electron mobility.
It is challenging to control the catalyst activation and deactivation by removal and addition of only one central atom, as it is almost impossible to precisely abstract an atom from aconventional catalyst and analyze its catalysis.Here we report that the loss of one central atom in Au 25 (resulting in Au 24 ) enhances the catalytic activity in the oxidation of methane compared to the original Au 25 .M ore importantly,t he activity can be readily switched through shuttling the central atom into Au 24 and out of Au 25 .This work will serve as astarting point for design rules on howt oc ontrol catalytic performance of ac atalyst by an atom alteration.
This review aims at providing an overview of the interactions between Pt and supports from experimental and theoretical results, in the hope of correlating the metal–support interactions with the activity and durability of the catalysts in fuel cells.
The assembly of atomically precise metal nanoclusters offers exciting opportunities to gain fundamental insights into the hierarchical assembly of nanoparticles.H owever,itisstill challenging to control the assembly of individual nanoclusters at amolecular or atomic level. Herein, we report the dimeric assembly of Au 25 (PET) 18 (PET = 2-phenylethanethiol), where two Au 25 (PET) 18 monomers are bridged together by two Ag atoms to form the Ag 2 Au 50 (PET) 36 dimer.T he Ag 2 Au 50 (PET) 36 dimer is au nique mesomer,w hich has not been found in any other chiral metal nanoclusters.F urthermore,t he Ag 2 Au 50 (PET) 36 dimer is distinct from the Au 25-(PET) 18 monomer in its optical, electronic, and catalytic properties.This study is expected to provide afeasible strategy to precisely modulate the assembly of metal nanoclusters with controllable structures and properties.
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