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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 ...
The origin of memory effects in the crystallization of polyamides: Role of hydrogen bonding
(Elsevier, 2019-12-23)
The effect of hydrogen bonding stability on the memory effects in the crystallization of long chain polyamides have been investigated by the self-nucleation calorimetric technique. Self-nucleation is characterized by three ...
Association of Maternal Iodine Status With Child IQ: A Meta-Analysis of Individual Participant Data
(Endocrine Society, 2019-03-28)
Context: Although the consequences of severe iodine deficiency are beyond doubt, the effects of mild to moderate iodine deficiency in pregnancy on child neurodevelopment are less well established.
Objective: To study the ...
The influence of the shape of Au nanoparticles on the catalyticcurrent of fructose dehydrogenase
(Springer, 2019-11)
Graphite electrodes were modified with triangular (AuNTrs) or spherical (AuNPs) nanoparticles and further modified with fructose dehydrogenase (FDH). The present study reports the effect of the shape of these nanoparticles ...
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 ...
Tailoring the isothermal crystallization kinetics of isodimorphic poly (butylene succinate-ran-butylene azelate) random copolymers by changing composition
(Elsevier, 2019-10-07)
A detailed isothermal crystallization study of biobased and biodegradable isodimorphic poly (butylene succinate-ran-butylene azelate) random copolyesters (PBS-ran-PBAz) with a wide composition range has been carried out ...
Segmental Dynamics Govern the Cold Crystallization of Poly(lactic acid) in Nanoporous Alumina
(ACS Publications, 2019-09-04)
How segmental mobility influences the crystallization behavior of polymers in confined spaces is still not fully understood. In the present work, a systematic study of the segmental dynamics was carried out by dielectric ...
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 ...
Public attitudes toward biodiversity‐friendly greenspace management in Europe
(Wiley, 2020)
Increasing urbanization worldwide calls for more sustainable urban development. Simultaneously, the global biodiversity crisis accentuates the need of fostering biodiversity within cities. Policies supporting urban nature ...