Search
Now showing items 1-8 of 8
Real-Time Propagation TDDFT and Density Analysis for Exciton Coupling Calculations in Large Systems
(American Chemical Society, 2019-06)
Photoactive systems are characterized by their capacity to absorb the energy of light and transform it. Usually, more than one chromophore is involved in the light absorption and excitation transport processes in complex ...
Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides
(Nature, 2019-07-29)
Chalcogen vacancies are generally considered to be the most common point defects in transition metal dichalcogenide (TMD) semiconductors because of their low formation energy in vacuum and their frequent observation in ...
How Confinement Affects the Nucleation, Crystallization, and Dielectric Relaxation of Poly(butylene succinate) and Poly(butylene adipate) Infiltrated within Nanoporous Alumina Templates
(ACS Publications, 2019-10-17)
This work describes the successful melt infiltration of poly(butylene succinate) (PBS) and poly(butylene adipate) (PBA) within 70 nm diameter anodic aluminum oxide (AAO) templates. The infiltrated samples were characterized ...
Light−Matter Response in Nonrelativistic Quantum Electrodynamics
(American Chemical Society, 2019-11)
We derive the full linear-response theory for nonrelativistic quantum electrodynamics in the long wavelength limit and provide a practical framework to solve the resulting equations by using quantum-electrodynamical ...
Multiflat Bands and Strong Correlations in Twisted Bilayer BoronNitride: Doping-Induced Correlated Insulator and Superconductor
(American Chemical Society, 2019-08)
Two-dimensional materials, obtained by van der Waals stacking of layers, are fascinating objects of contemporary condensed matter research, exhibiting a variety of new physics. Inspired by the breakthroughs of twisted ...
Surface state tunable energy and mass renormalization from homothetic quantum dot arrays
(Royal Society of Chemistry, 2019-12-28)
Quantum dot arrays in the form of molecular nanoporous networks are renowned for modifying the electronic surface properties through quantum confinement. Here we show that, compared to the pristine surface state, the band ...
Controlling the stereospecific bonding motif of Au-thiolate links
(Royal Society of Chemistry, 2019-09-07)
Over the last decades, organosulfur compounds at the interface of noble metals have proved to be extremely versatile systems for both fundamental and applied research. However, the anchoring of thiols to gold remained an ...
Real space manifestations of coherent screening in atomic scale Kondo lattices
(Nature Publishing, 2019-06-17)
The interaction among magnetic moments screened by conduction electrons drives quantum phase transitions between magnetically ordered and heavy-fermion ground states. Here, starting from isolated magnetic impurities in the ...