Reimagining the eg1 Electronic State in Oxygen Evolution Catalysis: Oxidation‐State‐Modulated Superlattices as a New Type of Heterostructure for Maximizing Catalysis
Sign Up to like & getrecommendations! Published in 2021 at "Advanced Energy Materials"
DOI: 10.1002/aenm.202101636
Abstract: The discovery of solid‐phase, inexpensive transition‐metal‐based water oxidation catalysts is a central goal for renewable energy, and has led to a general consensus that a partially populated metal eg d‐electronic state is desirable, leading to… read more here.
Keywords: oxidation state; catalysis; reimagining eg1; state ... See more keywords
Multiple electronic state mechanism for carboryne reaction with benzene: A DFT study
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.25372
Abstract: The multiple electronic state mechanisms of the reaction of carboryne with benzene were investigated by M11 calculations. Mechanisms leading to [4 + 2] cycloaddition product P4 + 2, [2 + 2] cycloaddition product P2 + 2, CC insert product PC-Cins and CH insert… read more here.
Keywords: multiple electronic; product; benzene; electronic state ... See more keywords
Ionization and Electronic State Excitation of CO2 in Radio-frequency Electric Field
Sign Up to like & getrecommendations! Published in 2020 at "Plasma Chemistry and Plasma Processing"
DOI: 10.1007/s11090-020-10106-x
Abstract: The rate coefficients for the electron impact ionization and electronic state excitation of the CO2 molecule are calculated in non-equilibrium conditions in the presence of time-dependent electric field. A Monte Carlo simulation has been employed… read more here.
Keywords: frequency; field; ionization electronic; electronic state ... See more keywords
Achieving host-free near-ultraviolet electroluminescence via electronic state engineering with phosphine oxide
Sign Up to like & getrecommendations! Published in 2022 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2021.132327
Abstract: Abstract Developing near-ultraviolet (NUV) emitters with board band gap and high photoluminescence quantum efficiency (PLQY) is a formidable challenge for organic light-emitting diode (OLED) applications. Herein, two NUV emitters PhImPOCz and PhImPOtBuCz were designed on… read more here.
Keywords: state; engineering; phosphine oxide; electronic state ... See more keywords
Electronic-state-driven adsorption of O2 on a nanocrystalline TiO2 under ‘dark’ and UV-irradiation conditions: Ab initio study
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2018.03.012
Abstract: Abstract DFT study on O2 adsorption on a nanocrystalline titania is presented for the first time. The dioxide’s nanoparticle is modeled via the nanocluster Ti8O16. According to the calculations, O2 physisorbs on the nanocluster Ti8O16… read more here.
Keywords: adsorption; adsorption nanocrystalline; electronic state; study ... See more keywords
Single crystal growth and electronic state of new compounds RPt2Cd20 (R = La-Nd, Sm)
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2016.09.077
Abstract: Abstract We succeeded in growing five new single crystalline compounds RPt 2 Cd 20 (R = La, Ce, Pr, Nd, and Sm) by the Cd self-flux method. These compounds are found to crystallize in the… read more here.
Keywords: state; crystal growth; state new; single crystal ... See more keywords
Effect of atomic configuration on magnetic properties and electronic state of CoVMnAl quaternary heusler alloy
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2020.157389
Abstract: Abstract Atomic configuration at the equilibrium state, magnetic property and electronic state of CoVMnAl quaternary Heusler alloy were investigated by neutron diffraction, magnetic measurements, and first-principles calculations. Saturation magnetization measured at 5 K was quite small… read more here.
Keywords: state covmnal; electronic state; atomic configuration; covmnal quaternary ... See more keywords
Mapping Electronic State Changes with STEM EBIC
Sign Up to like & getrecommendations! Published in 2019 at "Microscopy and Microanalysis"
DOI: 10.1017/s1431927619007712
Abstract: As an imaging technique, transmission electron microscopy (TEM) is distinguished by its ability to precisely locate the positions of individual atoms. In many cases, it can even identify these atoms’ elemental identities. However, while in… read more here.
Keywords: mapping electronic; microscopy; electronic state; state changes ... See more keywords
Local Structure and Electronic State of Atomically Dispersed Pt Supported on Nanosized CeO2
Sign Up to like & getrecommendations! Published in 2019 at "ACS Catalysis"
DOI: 10.1021/acscatal.9b02083
Abstract: Single atom catalysts (SACs) have shown high activity and selectivity in a growing number of chemical reactions. Many efforts aimed at unveiling the structure–property relationships underpinning these activities and developing synthesis methods for obtaining SACs… read more here.
Keywords: electronic state; structure electronic; structure; state atomically ... See more keywords
New Extraction Technique of In-Gap Electronic-State Spectrum Based on Time-Resolved Charge Extraction
Sign Up to like & getrecommendations! Published in 2020 at "ACS Omega"
DOI: 10.1021/acsomega.0c02800
Abstract: The in-gap electronic state (trap state) is an important factor that determines the photovoltaic performance of solar cells. In this article, we put forward a new technique for extracting the density of trap state (DOST)… read more here.
Keywords: state; gap electronic; extraction; charge ... See more keywords
Morphology, crystal structure and electronic state one-step co-tuning strategy towards developing superior perovskite electrocatalysts for water oxidation
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Materials Chemistry A"
DOI: 10.1039/c9ta06020k
Abstract: Here, we use an electrospinning method to control the crystal structure, electronic structure and microstructure of catalysts simultaneously. read more here.
Keywords: state one; electronic state; structure electronic; structure ... See more keywords