Abstract 2D graphene the most investigated structures from nanocarbon family studied in the
last three decades. It is projected as an excellent material useful for quantum computing …

The electrochemistry of graphene is dictated by its structural inhomogeneities, including
defects, edges, and substrate interactions, along with its unique electronic properties. In this …

Twisted 2D-flat band materials host exotic quantum phenomena and novel moiré patterns,
showing immense promise for advanced spintronic and quantum applications. Here, we …

Nitrogen-doped graphenes were among the first promising metal-free carbon-based
catalysts for the oxygen reduction reaction (ORR). However, data on the most efficient …

Graphene materials currently open new perspectives to electrochemical systems, providing
high electron transfer rates, electrochemical stability in a wide potential range, and ability to …

In this work, we develop a twist-dependent electrochemical activity map, combining a low-
energy continuum electronic structure model with modified Marcus–Hush–Chidsey kinetics …

We theoretically investigated the kinetics of outer-sphere electron transfer (ET) at graphene
with different number of layers in the presence and absence of metal substrates using …

Solid-supported graphene is a typical configuration of electrochemical devices based on
single-layer graphene. Therefore, it is necessary to understand the electrochemical features …

Low-dimensional carbon-based materials hold significant potential for electrocatalytic
applications. However, the role of defects and various additives in enhancing their …

DFT modeling is used to calculate the free energy profiles of oxygen reduction in acidic and
alkaline media on surfaces of nitrogen-doped graphene rather than defect-free graphene …