Recent advances in intensified ethylene production—a review

Y Gao, L Neal, D Ding, W Wu, C Baroi, AM Gaffney… - ACS …, 2019 - ACS Publications
Steam cracking is a well-established commercial technology for ethylene production.
Despite decades of optimization efforts, the process is, nevertheless, highly energy and …

Self-assembly of noble metal monolayers on transition metal carbide nanoparticle catalysts

ST Hunt, M Milina, AC Alba-Rubio, CH Hendon… - Science, 2016 - science.org
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 …

Cu-Doped TiO2: Visible Light Assisted Photocatalytic Antimicrobial Activity

S Mathew, P Ganguly, S Rhatigan, V Kumaravel… - Applied Sciences, 2018 - mdpi.com
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 …

Theoretical and Experimental Study of the Electronic Structures of MoO3 and MoO2

DO Scanlon, GW Watson, DJ Payne… - The Journal of …, 2010 - ACS Publications
The geometric and electronic structures of MoO3 and MoO2 have been calculated using the
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

BJ Morgan, GW Watson - Surface Science, 2007 - Elsevier
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 …

Effect of Cu doping on the anatase-to-rutile phase transition in TiO2 photocatalysts: theory and experiments

C Byrne, L Moran, D Hermosilla, N Merayo… - Applied Catalysis B …, 2019 - Elsevier
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 …

Energetic and Electronic Structure Analysis of Intrinsic Defects in SnO2

KG Godinho, A Walsh, GW Watson - The Journal of Physical …, 2009 - ACS Publications
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 …

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 …

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 …

Polaronic trapping of electrons and holes by native defects in anatase

BJ Morgan, GW Watson - Physical Review B—Condensed Matter and …, 2009 - APS
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 …