Non‐noble iron‐nitrogen‐carbon (Fe‐N‐C) catalysts have been explored as one type of the
most promising alternatives of precious platinum (Pt) in catalyzing the oxygen reduction …

Immobilization of transition metal complexes with catalytic, electronic or luminescent
properties onto solid supports is a theme of intense research. The relatively good knowledge …

The huge interest towards fullerenes and carbon nanotubes in molecular materials and
materials science is closely related to the intriguing properties of these carbon …

We performed a combined density functional theory (DFT) and X-ray photoelectron
spectroscopy (XPS) study of noncovalently bonded hybrids of 3d metal phthalocyanines …

Carbon-supported nonprecious metals catalysts have been extensively studied and proved
effective in electrocatalytic reactions in recent years. In this paper, we systematically …

Noncovalent hybrids of carbon nanotubes (CNTs) with phthalocyanines (Pcs) is a subject of
growing research effort focused on the development of new efficient organic photovoltaic …

The present study addresses the influence of topological defects incorporated into sidewalls
of single-walled carbon nanotubes (SWNTs) on the strength of noncovalent bonding and the …

The variation of the optical absorption of carbon nanotubes with their geometry has been
a<? format?> long-standing question at the heart of both metrological and applicative …

Featured Application Choosing appropriate DFT methodology for periodic modeling of
porphyrin containing systems. Abstract Porphyrins are fascinating molecules with …

We studied the influence of topological defects on the bonding strength, geometries and
electronic parameters for free-base H 2 Pc and two 3d-metal derivatives (CuPc and ZnPc) …