Heterogeneous Pair Approximation of Methanol Oxidation on TiO2 Reveals Two Reaction Pathways

CA Kim, T Van Voorhis - The Journal of Physical Chemistry C, 2022 - ACS Publications
We propose a novel method to simulate the chemical kinetics of methanol oxidation on the
rutile TiO2 (110) surface. Such a method must be able to capture the effects of static disorder …

[HTML][HTML] Machine learning dynamic correlation in chemical kinetics

CA Kim, ND Ricke, T Van Voorhis - The Journal of Chemical Physics, 2021 - pubs.aip.org
Lattice models are a useful tool to simulate the kinetics of surface reactions. Since it is
expensive to propagate the probabilities of the entire lattice configurations, it is practical to …

Exzitonendynamik und zeitaufgelöste Fluoreszenz-Photonenstatistik in organischen Halbleitern

JJ Schedlbauer - 2022 - epub.uni-regensburg.de
Der effiziente Einsatz organischer Halbleiter in makroskopischen Bauteilen setzt exakte
Kenntnis der zugrundeliegenden photophysikalischen Prozesse in diesen Materialsystemen …

[图书][B] Performance Enhancement of Organic Light-Emitting Diodes by Electronic Doping

DA Shelhammer - 2022 - search.proquest.com
Since the invention of organic light-emitting diodes (OLEDs) nearly 40 years ago, significant
effort has been put into realizing their full potential. OLEDs exhibit several properties that …

Semiconducting Devices and Nanomaterials: Insight from Computational Chemistry

AR McIsaac - 2021 - dspace.mit.edu
In the past two decades, new technologies such as organic light emitting diodes (OLEDs)
and quantum dots have emerged as promising candidates for applications from displays to …

[引用][C] ИССЛЕДОВАНИЕ ЛЮМИНЕСЦЕНТНЫХ СВОЙСТВ И ОЦЕНКА КВАНТОВОЙ ЭФФЕКТИВНОСТИ УГЛЕРОДНЫХ И ОРГАНИЧЕСКИХ МАТЕРИАЛОВ

АС Тютюник, ВС Гурченко, АСА Мазинов - Оптика и спектроскопия …, 2020 - elibrary.ru