Geometric model of 3D curved graphene with chemical dopants

DOI IR IR (HANDLE) Web Site Web Site 4 Citations 49 References Open Access

Search this article

Description

Abstract Geometric structures of carbon networks are key in designing their material properties. In particular, optimization of curved structures through the introduction of topological defects and doping of heteroatoms in the lattice is crucial to the design of carbon-based, non-noble-metal-free catalysts. A simple and practical mathematical model based on discrete geometric analysis is proposed to describe the geometric features of carbon networks and their relationships to their material properties. This model can pre-screen candidates for novel material design, and these candidates can be further examined by the density functional theory (DFT). Inspired by observations regarding the preferential doping of heteroatoms at local curved sites, the important characteristics of the candidate material were experimentally realized, and its enhanced catalytic activity facilitated by chemical dopants was confirmed in the designed carbon network.

Journal

  • Carbon

    Carbon 182 223-232, 2021-09

    Elsevier

Citations (4)*help

See more

References(49)*help

See more

Related Projects

See more

Details 詳細情報について

Report a problem

Back to top