Functionalized diamondoids show great potential as building blocks for various new
optoelectronic applications. However, until now, only simple mono and double substitutions …

Nanodiamonds (NDs) are modern high‐potential materials relevant for applications in
biomedicine, photocatalysis, and various other fields. Their electronic surface properties …

N-heterocyclic carbenes (NHC) s are emerging as an alternative class of molecules to thiol-
based self-assembled monolayers (SAMs), making carbene-based SAMs much more stable …

The natural absorbance caused by the chromophore and chemical behavior of 1-
iodoadamantane is highly influenced by the polarity of different solvent environments. This …

Small diamond-like particles, diamondoids, have been shown to effectively functionalize
gold electrodes in order to sense DNA units passing between the nanopore-embedded …

The rational control of the electronic and optical properties of small functionalized diamond-
like molecules, the diamondoids, is the focus of this work. Specifically, we investigate the …

DNA sensing with engineered nanomaterials can bestow a new platform for single
nucleotide identification and sequencing. Nevertheless, understanding the relevant nano …

We follow the idea of using metal-decorated polyhydroxy adamantane structures as H2
adsorption sites and develop it further by integrating such structures into porous framework …

This study investigates the molecular-level self-assembly behavior of seven functionalized
diamondoids, examining how diverse substituents influence structural organization, thermal …

By combining time-dependent density functional theory (TD-DFT) and Franck-Condon (FC)
approximation, the effects of nuclear dynamic on the optical gap (OG) of the smallest …