Unraveling Thermodynamic and Kinetic Contributions to the Stability of Doped Nanocrystalline Alloys using Nanometallic Multilayers
Sign Up to like & getrecommendations! Published in 2022 at "Advanced Materials"
DOI: 10.1002/adma.202200354
Abstract: Targeted doping of grain boundaries is widely pursued as a pathway for combating thermal instabilities in nanocrystalline metals. However, certain dopants predicted to produce grain‐boundary‐segregated nanocrystalline configurations instead form small nanoprecipitates at elevated temperatures that… read more here.
Keywords: unraveling thermodynamic; thermodynamic kinetic; grain boundary; kinetic contributions ... See more keywords
Electrocrystallization of silver nanoparticles from silver halides in polypyrrole evidenced by their SERS activity—thermodynamic and kinetic conditions
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Solid State Electrochemistry"
DOI: 10.1007/s10008-018-4103-z
Abstract: Silver(I) halide particles embodied in polypyrrole matrices are synthesized and further processed electrochemically to get nanoparticles of silver with significant activity in the surface-enhanced Raman spectroscopy (SERS) of the rhodamine 6G test solute, which is… read more here.
Keywords: thermodynamic kinetic; nanoparticles silver; spectroscopy; kinetic conditions ... See more keywords
Molecular dynamics study of the thermodynamic and kinetic properties of the solid-liquid interface in FeMn
Sign Up to like & getrecommendations! Published in 2020 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2020.109773
Abstract: Abstract The solid-liquid phase equilibria as a function of temperature and composition has been computed for the Fe-Mn system using a semi-grand canonical Monte Carlo technique. Interaction between atoms were modeled using a second nearest… read more here.
Keywords: dynamics study; thermodynamic kinetic; study thermodynamic; molecular dynamics ... See more keywords
Thermodynamic and Kinetic Studies on the Polymorphic Transformations of Puerarin Hydrates.
Sign Up to like & getrecommendations! Published in 2021 at "International journal of pharmaceutics"
DOI: 10.1016/j.ijpharm.2021.120374
Abstract: Puerarin (PUE), a bioactive flavonoid from the plant Pueraria lobata, exists in two hydrated forms: monohydrate (PUEMH) and dihydrate (PUEDH). The aim of the present work was to explore the thermodynamic and kinetic mechanism of… read more here.
Keywords: puedh; thermodynamic kinetic; polymorphic transformations; puemh puedh ... See more keywords
A comprehensive thermodynamic and kinetic study of synthesized rGO-ZrO2 composite as a photocatalyst and its use as fuel additive
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2019.07.116
Abstract: Abstract Spherical shaped rGO-ZrO2 nano composite was synthesized using a wet chemical approach in two steps. The graphene oxide was synthesized by modified Hummer's and offeman method in the first step, followed by the adsorption… read more here.
Keywords: rgo zro2; fuel; comprehensive thermodynamic; zro2 ... See more keywords
Thermodynamic and kinetic mechanism of phase transformation of levofloxacin hydrochloride
Sign Up to like & getrecommendations! Published in 2021 at "Particuology"
DOI: 10.1016/j.partic.2021.08.009
Abstract: Abstract In this work, thermodynamic and kinetic factors that affect formation and phase transformation process of different solid forms of levofloxacin hydrochloride were investigated in detail. Dynamic vapor sorption experiments (DVS) and varying temperature-powder X-ray… read more here.
Keywords: temperature; thermodynamic kinetic; transformation; levofloxacin hydrochloride ... See more keywords
Impact of Lignosulfonates on the Thermodynamic and Kinetic Parameters of Malvidin-3- O-glucoside in Aqueous Solutions.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of agricultural and food chemistry"
DOI: 10.1021/acs.jafc.8b02273
Abstract: The interaction of malvidin-3- O-glucoside (1) and a lignosulfonate was studied by UV-visible spectroscopy, and the results obtained showed the formation of a complex between the negatively charged lignosulfonate and the flavylium cation form (AH+)… read more here.
Keywords: presence lignosulfonate; thermodynamic kinetic; kinetic parameters; spectroscopy ... See more keywords
The Solubility Advantage of Amorphous Ketoprofen. Thermodynamic and Kinetic Aspects by Molecular Dynamics and Free Energy Approaches.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.0c00166
Abstract: Thermodynamic and kinetic aspects of crystalline (c-KTP) and amorphous (a-KTP) ketoprofen dissolution in water have been investigated by molecular dynamics simulation focusing on free energy properties. Absolute free energies of all relevant species and phases… read more here.
Keywords: thermodynamic kinetic; molecular dynamics; energy; kinetic aspects ... See more keywords
Insight into Thermodynamic and Kinetic Profiles in Small-Molecule Optimization.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.2c00682
Abstract: Structure-activity relationships (SARs) and structure-property relationships (SPRs) have been considered the most important factors during the drug optimization process. For medicinal chemists, improvements in the potencies and druglike properties of small molecules are regarded as… read more here.
Keywords: molecule optimization; small molecule; kinetic profiles; thermodynamic kinetic ... See more keywords
Thermodynamic and Kinetic Study on Carbon Dioxide Hydrogenation to Methanol Over a Ga3Ni5(111) Surface: The Effects of Step Edge
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b08232
Abstract: Density functional theory (DFT) was used to study the mechanisms of carbon dioxide (CO2) hydrogenation to methanol (CH3OH) on a stepped Ga3Ni5(111) surface. Surface properties, adsorption energies of reactants, and potential intermediates and products, as… read more here.
Keywords: hydrogenation methanol; thermodynamic kinetic; ga3ni5 111; surface ... See more keywords
Thermodynamic and Kinetic Competition between C–H and O–H Bond Formation Pathways during Electrochemical Reduction of CO on Copper Electrodes
Sign Up to like & getrecommendations! Published in 2021 at "ACS Catalysis"
DOI: 10.1021/acscatal.0c05472
Abstract: Carbon monoxide is the key intermediate in the electrochemical CO2 reduction reaction and determines the overpotentials and selectivities for C1 and C2 products on copper electrodes. The kinetic mo... read more here.
Keywords: competition bond; kinetic competition; reduction; thermodynamic kinetic ... See more keywords