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The reorganization energy (lambda), which quantifies the structural rearrangement of a molecule when accommodating a charge, is a key parameter in the evaluation of charge mobility in molecular solids. However, it is unclear how lambda is influenced by con ...
Treatment of potassium salts of silole dianions with donor stabilised germanium dichlorides gave the anticipated silagermafulvenylidenes R2Si = Ge(Do) (R2Si = 1-silacyclopentadiendiyl, Do = N-heterocyclic carbene (NHC)) only as transient intermediates in a ...
Bi-stable charge-neutral iron(II) spin-crossover (SCO) complexes are a class of switchable molecular materials proposed for molecule-based switching and memory applications. In this study, we report on the SCO behavior of a series of iron(II) complexes com ...
Mono-, di- and tri-phenyltin(IV) adducts containing a neutral diphosphoryl ligand, Ph2P(O)OC6H4OP(O) Ph-2, were synthesized and characterized. These 2 : 1 adducts of two trans-organotin(IV) moieties and the bridging ligand all crystallize around a centre o ...
Through hybrid density functional calculations, we compare the Ge-Ge bond energy with the formation energy of a valence alternation pair as the O concentration varies across the Ge/GeO2 interface. First, hole trapping energies are calculated for three atom ...
Nowadays thin films play an important role in everyday life and in industries. Thin film technology has been developed primarily for the growing demand for development of smaller and smaller devices that require advanced materials and new processing techni ...
A series of events has revolutionized the research on semiconductor interfaces. One of the most interesting is the discovery that heterojunction band lineups can be modified by manipulating the interface on an atomic scale. Specifically, it has been possib ...
We investigate the composition and temperature (10-450 K) dependence of the Yb valence in YbMn6Ge6-xSnx (x = 0.0, 3.8, 4.2, 4.4, and 5.5) using resonant inelastic x-ray scattering (RIXS). The observed change in the Yb valence with composition (from v simil ...
Recently, several research groups have reported the growth of germanene, a new member of the graphene family. Germanene is in many aspects very similar to graphene, but in contrast to the planar graphene lattice, the germanene honeycomb lattice is buckled ...
We present a spin delocalization effect in radical Si-containing systems, featuring a heteroatom of high electronegativity (such as N, O, or Cl) bonded to the unsaturated Si atom. We find that the higher the electronegativity of the heteroatom, the more th ...