Controlling inorganic structure and dimensionality through structure-directing agents is a
versatile approach for new materials synthesis that has been used extensively for metal …

Electronic properties, absorption spectra and nonlinear optical properties of alkali metal
substituted diamantanes are presented. A significant reduction in HOMO-LUMO gap has …

Single micro/nanocrystals based on π-conjugated organic molecules have caused
tremendous interests in the optoelectronic applications in laser, optical waveguide …

Diamondoids are cage-like hydrocarbon materials with unique characteristics such as low
dielectric constants, negative electron affinity, large steric bulk, and electron-donating ability …

Known for their stable structural and thermal properties, diamondoids and particularly their
radical cations are viable candidates as carriers for diffuse interstellar bands. While previous …

The temperature dependence of the rate constants in radiative and nonradiative decays
from excited electronic states has been studied using a time-dependent correlation function …

Diamondoids form a molecular class of cage-like structures and serve as a link between
small, cyclic hydrocarbons and bulk nanodiamonds. Comparisons have been made …

On-surface self-assemblies of aromatic organic molecules have been widely investigated,
but the characterization of analogous self-assemblies consisting of fully sp 3-hybridized …

Nanodiamonds, commonly described as fragments of diamond, have been theoretically
found to have lower HOMO-LUMO energy splitting compared to the bandgap of bulk …

We propose a theoretical approach based on (constrained) density functional theory and the
Franck-Condon approximation for the calculation of the temperature dependent …