In‐situ IR Spectroscopy Study of Reactions of C3 Oxygenates on Heteroatom (Sn, Mo, and W) doped BEA Zeolites and the Effect of Co‐adsorbed Water
Sign Up to like & getrecommendations! Published in 2020 at "ChemCatChem"
DOI: 10.1002/cctc.202001424
Abstract: The reactions of acetone and hydroxyacetone over heteroatom doped BEA zeolites (Sn, Mo, and W) in the presence and absence of H2O vapor are investigated using infrared spectroscopy. Acetone is converted to mesityl oxide over… read more here.
Keywords: bea; heteroatom doped; bea zeolites; adsorbed water ... See more keywords
Dynamical and structural properties of adsorbed water molecules at the TiO2 anatase-(1 0 1) surface: Importance of interfacial hydrogen-bond rearrangements
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.137164
Abstract: Abstract Dynamical and structural properties of physically- and chemically-adsorbed water molecules on partially hydroxylated anatase-(1 0 1) surfaces have been studied via Born-Oppenheimer molecular dynamics. Most molecules adopt surface-parallel orientations. Two main types of water-splitting modes were:… read more here.
Keywords: dynamical structural; structural properties; water; surface ... See more keywords
Solid-state NMR study of adsorbed water molecules in covalent organic framework materials
Sign Up to like & getrecommendations! Published in 2020 at "Microporous and Mesoporous Materials"
DOI: 10.1016/j.micromeso.2020.110287
Abstract: Abstract This study investigates the locations and interactions of adsorbed water molecules within a porous COF material, TpPa-1. The TpPa-1 samples include the as-synthesized powder samples and the samples first subjected to compression at high… read more here.
Keywords: solid state; state nmr; water; adsorbed water ... See more keywords
Molecular Dynamics Simulation of First-Adsorbed Water Layer at Titanium Dioxide Surfaces
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.7b00984
Abstract: The behavior of the first-adsorbed water layer at titanium dioxide surfaces is critical to the fundamental understanding of titanium dioxide-based applications. Using classical MD simulations, we study the properties of first-adsorbed water layers at four… read more here.
Keywords: water; titanium dioxide; adsorbed water; first adsorbed ... See more keywords
Gaseous Reactions in Adsorbed Water Present on Transition Metal Oxides
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b02173
Abstract: Water from ambient atmosphere is known to adsorb naturally on the surfaces of many transition metal oxides, and this adsorbed water is known to affect electrical, optical, and many functional properties such as catalytic activities.… read more here.
Keywords: water; metal oxides; transition metal; adsorbed water ... See more keywords
First Adsorbed Water Layer and Its Wettability Transition under Compressive Lattice Strain
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.9b06815
Abstract: A molecular-level description of a near-surface water structure and a handy manipulation of its properties are relevant to a broad range of scientific and technological phenomena. Here, through a s... read more here.
Keywords: water; adsorbed water; first adsorbed; water layer ... See more keywords
X-ray Insights into Formation of -O Functional Groups on MXenes: Two-Step Dehydrogenation of Adsorbed Water.
Sign Up to like & getrecommendations! Published in 2023 at "Nano letters"
DOI: 10.1021/acs.nanolett.2c04712
Abstract: Engineered MXene surfaces with more -O functional groups are feasible for realizing higher energy density due to their higher theoretical capacitance. However, there have been only a few explorations of this regulation mechanism. Investigating the… read more here.
Keywords: two step; step dehydrogenation; functional groups; groups mxenes ... See more keywords
Enhanced Oxygen Reduction Reaction Performance by Adsorbed Water on Edge Sites.
Sign Up to like & getrecommendations! Published in 2023 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.3c01470
Abstract: Pt-based alloy nanoparticles have broad application prospects as cathode catalyst materials for proton-exchange membrane fuel cells (PEMFCs). Optimization of the oxygen adsorption energy is crucial to boost the performance of oxygen reduction catalysis. We successfully… read more here.
Keywords: oxygen reduction; reduction reaction; adsorbed water; performance ... See more keywords
A review of recent advances in computational and experimental analysis of first adsorbed water layer on solid substrate
Sign Up to like & getrecommendations! Published in 2020 at "Molecular Simulation"
DOI: 10.1080/08927022.2020.1786086
Abstract: ABSTRACT The interactions at the water/solid interface is of great importance to a broad range of scientific phenomena and technological processes in astrophysics, electrochemistry, corrosion, lubrication, and heterogeneous catalysis. Tremendous research interest has been dedicated… read more here.
Keywords: water; adsorbed water; first adsorbed; water layer ... See more keywords
First-principles study of the dielectric functions of carbon nanotubes with adsorbed water
Sign Up to like & getrecommendations! Published in 2017 at "Applied Physics Express"
DOI: 10.7567/apex.10.045101
Abstract: A recent study demonstrated adsorption of water molecules on the surfaces of carbon nanotubes (CNTs). Importantly, it was reported that the peak positions in the absorption and photoluminescence spectra of the CNTs were shifted to… read more here.
Keywords: water; carbon nanotubes; water molecules; adsorbed water ... See more keywords