Two-Sidedness of Surface Reaction Mediation.
Sign Up to like & getrecommendations! Published in 2019 at "Advanced materials"
DOI: 10.1002/adma.201902080
Abstract: A heterogeneous catalytic process involves many surface elementary steps that affect the overall catalytic performance in one way or another. In general, a high-performance heterogeneous catalyst should meet the main criteria: excellent catalytic activity and… read more here.
Keywords: two sidedness; surface; reaction mediation; reaction ... See more keywords
Mechanistic insights into the conversion of dimethyl ether over ZSM-5 catalysts: A combined temperature-programmed surface reaction and microkinetic modelling study
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Engineering Science"
DOI: 10.1016/j.ces.2021.116620
Abstract: Abstract The adsorption rates, desorption, and surface reaction of dimethyl ether (DME) to olefins over fresh and working ZSM-5 catalysts with different Si/Al ratios (36 and 135) were decoupled using a combination of temperature-programmed surface… read more here.
Keywords: temperature programmed; dimethyl ether; surface reaction; zsm catalysts ... See more keywords
Mechanisms of hydroxyl radicals production from pyrite oxidation by hydrogen peroxide: Surface versus aqueous reactions
Sign Up to like & getrecommendations! Published in 2018 at "Geochimica et Cosmochimica Acta"
DOI: 10.1016/j.gca.2018.07.018
Abstract: Abstract Pyrite oxidation by hydrogen peroxide (H2O2) occurs in both natural and engineered systems. Hydroxyl radical ( OH) is a key reactive intermediate for pyrite and coexisting substances oxidation. In acidic H2O2/pyrite systems, H2O2 decomposition… read more here.
Keywords: aqueous fe2; production; pyrite oxidation; surface ... See more keywords
N + H surface reaction under interstellar conditions: Does the NH/NH2/NH3 distribution depend on N/H ratio?
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.128736
Abstract: Abstract Astronomical observations have already reported that the abundances of NH, NH2, and NH3 cannot be explained with gas phase chemistry modeling and depend strongly on the environment where these three N-hydrides have been detected.… read more here.
Keywords: formation; nh2 nh3; reaction interstellar; reaction ... See more keywords
Identifying Surface Reaction Intermediates in Plasma Catalytic Ammonia Synthesis
Sign Up to like & getrecommendations! Published in 2020 at "ACS Catalysis"
DOI: 10.1021/acscatal.0c03166
Abstract: Ammonia synthesis by plasma catalysis has emerged as an alternative process for decoupling nitrogen fixation from fossil fuels. Plasma activation can potentially circumvent the limitations of conve... read more here.
Keywords: reaction intermediates; intermediates plasma; ammonia synthesis; identifying surface ... See more keywords
To address surface reaction network complexity using scaling relations machine learning and DFT calculations
Sign Up to like & getrecommendations! Published in 2017 at "Nature Communications"
DOI: 10.1038/ncomms14621
Abstract: Surface reaction networks involving hydrocarbons exhibit enormous complexity with thousands of species and reactions for all but the very simplest of chemistries. We present a framework for optimization under uncertainty for heterogeneous catalysis reaction networks… read more here.
Keywords: network; complexity; scaling relations; address surface ... See more keywords
Discovering surface reaction pathways using accelerated molecular dynamics and network analysis tools
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra04343b
Abstract: We present an automated method that maps surface reaction pathways with no experimental data and with minimal human interventions. In this method, bias potentials promoting surface reactions are applied to enable statistical samplings of the… read more here.
Keywords: reaction pathways; reaction; molecular dynamics; surface reaction ... See more keywords
Numerical study of the influence of surface reaction probabilities on reactive species in an rf atmospheric pressure plasma containing humidity
Sign Up to like & getrecommendations! Published in 2018 at "Plasma Physics and Controlled Fusion"
DOI: 10.1088/1361-6587/aa8fe9
Abstract: The quantification and control of reactive species (RS) in atmospheric pressure plasmas (APPs) is of great interest for their technological applications, in particular in biomedicine. Of key importance in simulating the densities of these species… read more here.
Keywords: surface reaction; reaction probabilities; pressure; atmospheric pressure ... See more keywords
Core–shell Si/Cu nanocomposites synthesized by self-limiting surface reaction as anodes for lithium ion batteries
Sign Up to like & getrecommendations! Published in 2017 at "Functional Materials Letters"
DOI: 10.1142/s1793604717500254
Abstract: Core–shell Si/Cu nanocomposites were synthesized via a flexible self-limiting surface reaction without extra reductant for the first time. The nano Si was uniformly coated with Cu nanoparticles with a diameter of 5–10nm, which can enhance… read more here.
Keywords: core shell; nanocomposites synthesized; self limiting; shell nanocomposites ... See more keywords