Atomic‐Scale Studies of Fe3O4(001) and TiO2(110) Surfaces Following Immersion in CO2‐Acidified Water
Sign Up to like & getrecommendations! Published in 2020 at "Chemphyschem"
DOI: 10.1002/cphc.202000471
Abstract: Abstract Difficulties associated with the integration of liquids into a UHV environment make surface‐science style studies of mineral dissolution particularly challenging. Recently, we developed a novel experimental setup for the UHV‐compatible dosing of ultrapure liquid… read more here.
Keywords: tio2 110; water; surface; atomic scale ... See more keywords
Electronic state changes of Cu nanoparticles on rutile TiO2(110) by O2 and CO exposure
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Electron Spectroscopy and Related Phenomena"
DOI: 10.1016/j.elspec.2021.147123
Abstract: Abstract In order to investigate the strong catalytic activities of Cu nanoparticles, we have measured the electronic states of oxygen and carbon monoxide-exposed Cu nanoparticles on the rutile TiO2(110) surfaces by synchrotron radiation photoelectron spectroscopy.… read more here.
Keywords: state; tio2 110; nanoparticles rutile; rutile tio2 ... See more keywords
SO2 adsorption on rutile TiO2(110): An infrared reflection-absorption spectroscopy and density functional theory study
Sign Up to like & getrecommendations! Published in 2018 at "Surface Science"
DOI: 10.1016/j.susc.2018.05.016
Abstract: Abstract The adsorption of SO2 on single crystalline TiO2(110) has been investigated by means of polarized infrared reflection-absorption spectroscopy (IRRAS) experiments and density functional theory (DFT) calculations. IR absorption bands were detected at 1324 cm −… read more here.
Keywords: absorption; adsorption; tio2 110; surface ... See more keywords
Mechanistic Understanding of NO2 Dissociation on a Rutile TiO2 (110) Surface: An Electronic Structure Study
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.0c00525
Abstract: Understanding the mechanism of NO2 interaction on semiconductor surfaces such as TiO2 is a key step in designing the catalytic processes for conversion of NO2 to useful products. In the present wor... read more here.
Keywords: understanding no2; tio2 110; mechanistic understanding; dissociation rutile ... See more keywords
DFT Study on Reaction Mechanism of Nitric Oxide to Ammonia and Water on a Hydroxylated Rutile TiO2(110) Surface
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b04811
Abstract: Nitric oxide (NO) is an important air pollutant. Its chemical conversion to ammonia (NH3) and water (H2O) molecules has recently attracted a lot of experimental attention. In this work, we have employed a periodic density… read more here.
Keywords: tio2 110; 110 surface; surface; rutile tio2 ... See more keywords
Intrinsic Role of Excess Electrons in Surface Reactions on Rutile TiO2 (110): Using Water and Oxygen as Probes
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b12451
Abstract: Reactions on catalytically active surfaces often involve complex mechanisms with multiple interactions between adsorbates and various subsequently formed intermediates, and a variable number of excess electrons further complicates the involved mechanisms. Experimental techniques face challenges… read more here.
Keywords: intrinsic role; role excess; tio2 110; excess electrons ... See more keywords
Molecular Structure and Electronic Properties of para-Hexaphenyl Monolayer on Atomically Flat Rutile TiO2(110)
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.9b11533
Abstract: The structure and stability of a molecular wetting layer of the rodlike organic semiconductor molecule para-hexaphenyl grown at room temperature on atomically flat titanium dioxide TiO2(110) surfac... read more here.
Keywords: structure electronic; tio2 110; molecular structure; para hexaphenyl ... See more keywords
Dopamine Adsorption on Rutile TiO2(110): Geometry, Thermodynamics, and Core-Level Shifts from First Principles
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.1c05784
Abstract: The modification of the rutile TiO2(110) surface with dopamine represents the best example of the functionalization of TiO2-based nanoparticles with catecholamines, which is of great interest for sunlight harvesting and drug delivery. However, there is… read more here.
Keywords: adsorption; thermodynamics; tio2 110; surface ... See more keywords
What Controls Photocatalytic Water Oxidation on Rutile TiO2(110) under Ultra-High-Vacuum Conditions?
Sign Up to like & getrecommendations! Published in 2017 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.7b05121
Abstract: The photocatalytic O-H dissociation of water absorbed on a rutile TiO2(110) surface in ultrahigh vacuum (UHV) is studied with spin-polarized density functional theory and a hybrid exchange-correlation functional (HSE06), treating the excited-state species as excitons… read more here.
Keywords: tio2 110; oxidation; water; rutile tio2 ... See more keywords
Effects of Oxygen Vacancy on the Adsorption of Formaldehyde on Rutile TiO2(110) Surface
Sign Up to like & getrecommendations! Published in 2017 at "Chinese Journal of Chemical Physics"
DOI: 10.1063/1674-0068/30/cjcp1703049
Abstract: Oxygen vacancy (Ov) has significant influence on physical and chemical properties of TiO2 systems, especially on surface catalytic processes. In this work, we investigate the effects of Ov on the adsorption of formaldehyde (HCHO) on… read more here.
Keywords: adsorption; oxygen vacancy; tio2 110; surface ... See more keywords