Organic molecular beam deposition: Growth studies beyond the first monolayer

F Schreiber - physica status solidi (a), 2004 - Wiley Online Library
We review recent work on organic molecular beam deposition (OMBD) with emphasis on
growth studies beyond the first monolayer, ie the evolution of the film structure and …

A MoS2/PTCDA Hybrid Heterojunction Synapse with Efficient Photoelectric Dual Modulation and Versatility

S Wang, C Chen, Z Yu, Y He, X Chen… - Advanced …, 2019 - Wiley Online Library
Just as biological synapses provide basic functions for the nervous system, artificial synaptic
devices serve as the fundamental building blocks of neuromorphic networks; thus …

Atomistic simulations of complex materials: ground-state and excited-state properties

T Frauenheim, G Seifert, M Elstner… - Journal of Physics …, 2002 - iopscience.iop.org
The present status of development of the density-functional-based tight-binding (DFTB)
method is reviewed. As a two-centre approach to density-functional theory (DFT), it …

Choosing a functional for computing absorption and fluorescence band shapes with TD-DFT

A Charaf-Eddin, A Planchat, B Mennucci… - Journal of chemical …, 2013 - ACS Publications
The band shapes corresponding to both the absorption and emission spectra of a set of 20
representative conjugated molecules, including recently synthesized structures, have been …

The SCC-DFTB method and its application to biological systems

M Elstner - Theoretical Chemistry Accounts, 2006 - Springer
The Self-consistent charge density functional tight-binding (SCC-DFTB) is an approximate
quantum chemical method derived from density functional theory (DFT) based on a second …

The vibronic structure of electronic absorption spectra of large molecules: a time-dependent density functional study on the influence of “Exact” Hartree− Fock …

M Dierksen, S Grimme - The Journal of Physical Chemistry A, 2004 - ACS Publications
The functional dependence of excited-state geometries and normal modes calculated with
time-dependent density functional theory (TDDFT) is investigated on the basis of vibronic …

The lowest energy Frenkel and charge-transfer excitons in quasi-one-dimensional structures: application to MePTCDI and PTCDA crystals

M Hoffmann, K Schmidt, T Fritz, T Hasche… - Chemical Physics, 2000 - Elsevier
We consider the exciton states in quasi-one-dimensional organic crystals with strong orbital
overlap between neighboring molecules. In such crystals, the energy difference between the …

Electronic spectroscopy in He droplets

F Stienkemeier, AF Vilesov - The Journal of Chemical Physics, 2001 - pubs.aip.org
Recent experiments on the electronic spectroscopy of atoms, clusters, and organic
molecules embedded in helium nanodroplets are reviewed. Electronic transitions imply a …

Highly selective gas sensors based on graphene nanoribbons grown by chemical vapor deposition

M Shekhirev, A Lipatov, A Torres… - … applied materials & …, 2020 - ACS Publications
Despite the recent advances in bottom-up synthesis of different kinds of atomically precise
graphene nanoribbons (GNRs) with very diverse physical properties, the translation of these …

Beyond exciton theory: a time-dependent DFT and Franck− Condon study of perylene diimide and its chromophoric dimer

AE Clark, C Qin, ADQ Li - Journal of the American Chemical …, 2007 - ACS Publications
The diimide perylene motif exhibits a dramatic intensity reversal between the 0→ 0 and 0→
1 vibronic bands upon π− π stacking; this distinct spectral property has previously been …