NBO analysis, hybrid density functional theory (B3LYP/6-311+G**) based methods were used to study the anomeric effects (AE), Stereoelectronic interactions, dipole-dipole interactions on the conformational properties of 1-Fluoro-N, N-dimethylmethanamine (1) and phosphorus (2) and arsenic (3) analogues.Moreover, relationships between stability of the anti-conformations of 1-Fluoro-N, N-dimethylme...

Oxygen reduction reaction (ORR) is the key for development of clean and sustainable fuel cells. However, ORR sluggish kinetics, thereby it remains a grand challenge to develop high-activity, low-cost, long-durability electrocatalysts facilitate process practical application. The introduction dopants into/on carbon skeleton known as an efficient route obtain novel metal-free electrocatalyst ORR....

Abstract One promising way to reduce the use of noble metal catalysts is extremely fine particle catalysts, such as subnanoclusters and single-atom catalysts. For practical use, suppression diffusion agglomeration are needed. Heteroatom-doped graphene, which has high specific surface area, chemical mechanical stabilities, electrical thermal conductivities, contains anchoring sites for catalyst ...