Recent advances in intensified ethylene production—a review
Steam cracking is a well-established commercial technology for ethylene production.
Despite decades of optimization efforts, the process is, nevertheless, highly energy and …
Despite decades of optimization efforts, the process is, nevertheless, highly energy and …
Self-assembly of noble metal monolayers on transition metal carbide nanoparticle catalysts
We demonstrated the self-assembly of transition metal carbide nanoparticles coated with
atomically thin noble metal monolayers by carburizing mixtures of noble metal salts and …
atomically thin noble metal monolayers by carburizing mixtures of noble metal salts and …
Cu-Doped TiO2: Visible Light Assisted Photocatalytic Antimicrobial Activity
Surface contamination by microbes is a major public health concern. A damp environment is
one of potential sources for microbe proliferation. Smart photocatalytic coatings on building …
one of potential sources for microbe proliferation. Smart photocatalytic coatings on building …
Theoretical and Experimental Study of the Electronic Structures of MoO3 and MoO2
The geometric and electronic structures of MoO3 and MoO2 have been calculated using the
generalized gradient approximation to density functional theory. The calculated cross …
generalized gradient approximation to density functional theory. The calculated cross …
A DFT+ U description of oxygen vacancies at the TiO2 rutile (1 1 0) surface
Experimental observations indicate that removing bridging oxygen atoms from the TiO2
rutile (110) surface produces a localised state approximately 0.7 eV below the conduction …
rutile (110) surface produces a localised state approximately 0.7 eV below the conduction …
Effect of Cu doping on the anatase-to-rutile phase transition in TiO2 photocatalysts: theory and experiments
This paper shows that incorporation of Cu inhibits the anatase to rutile phase transition at
temperatures above 500° C. The control sample, with 0% Cu contained 34.3% anatase at …
temperatures above 500° C. The control sample, with 0% Cu contained 34.3% anatase at …
Energetic and Electronic Structure Analysis of Intrinsic Defects in SnO2
Empirically, intrinsic defects in SnO2 are known to give rise to a net oxygen substoichiometry
and n-type conductivity; however, the atomistic nature of the defects is unclear. Through first …
and n-type conductivity; however, the atomistic nature of the defects is unclear. Through first …
A novel CeO2 Hollow-Shell sensor constructed for high sensitivity of acetone gas detection
L Lyu, Q Xie, Y Yang, R Wang, W Cen, S Luo… - Applied surface …, 2022 - Elsevier
Acetone is flammable and harmful to human health and environment. It is urgent and
significant to develop high sensitivity and efficiency sensors for acetone gas detecting …
significant to develop high sensitivity and efficiency sensors for acetone gas detecting …
A critical assessment of Li/MgO-based catalysts for the oxidative coupling of methane
S Arndt, G Laugel, S Levchenko, R Horn… - Catalysis …, 2011 - Taylor & Francis
Li/MgO is one of the most frequently investigated catalysts for the oxidative coupling of
methane. Besides catalytic testing, it is also a suitable system to perform surface science …
methane. Besides catalytic testing, it is also a suitable system to perform surface science …
Polaronic trapping of electrons and holes by native defects in anatase
We have investigated the formation of native defects in anatase TiO 2 using density
functional theory (DFT) modified with on-site Coulomb terms (DFT+ U) applied to both Ti d …
functional theory (DFT) modified with on-site Coulomb terms (DFT+ U) applied to both Ti d …