High loading single-atom Cu dispersed on graphene for efficient oxygen reduction reaction

TL;DR: In this paper, mesoporous N-doped carbon (m-N-Carbon) nanofibers with controlled numerous surface nanocavities as efficient oxygen reduction reaction electrocatalysts have been fabricated through carbonization polyaniline (PANI), decorated with different sizes of SiO2 nanoparticles.

TL;DR: In this paper , an Ultrathin two-dimensional carbon nano sheet catalyst Fe/Mn-SNC with rich pore structure doped with trace manganese was synthesized by simple sodium chloride template cracking method and freeze-drying method.

TL;DR: In this article , a novel heterogeneous Cu/CuO nanoparticles embedded within N-doped carbon nanosheets were successfully synthesized by combining a facile hydrothermal route with a solid calcination technique.

TL;DR: In this article , the authors synthesized atomically dispersed Zn with N defect on three-dimensional (3D) biomimetic carbon nanotubes by secondary pyrolysis (Zn-N-C-2), which possesses excellent oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) bifunctional catalytic activities.

TL;DR: The pseudopotential is of an analytic form that gives optimal efficiency in numerical calculations using plane waves as a basis set and is separable and has optimal decay properties in both real and Fourier space.

TL;DR: It is shown how derivatives of the GPW energy functional, namely ionic forces and the Kohn–Sham matrix, can be computed in a consistent way and the computational cost is scaling linearly with the system size, even for condensed phase systems of just a few tens of atoms.

TL;DR: Recent advances in preparation, characterization, and catalytic performance of SACs are highlighted, with a focus on single atoms anchored to metal oxides, metal surfaces, and graphene, offering the potential for applications in a variety of industrial chemical reactions.