Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials
Driven by growing concerns for environmental and energy issues, interest in semiconductor-
based heterogeneous photocatalysis has increased considerably over the last decades …
based heterogeneous photocatalysis has increased considerably over the last decades …
Adsorption-based CO removal: Principles and materials
Carbon monoxide is a feedstock used in the petrochemical industry for production of many
chemicals. These processes require separation or purification of CO. Adsorption is a cost …
chemicals. These processes require separation or purification of CO. Adsorption is a cost …
Engineered MoxC/TiO2 interfaces for efficient noble metal-free photocatalytic hydrogen production
Photoinduced hydrogen production is a promising green strategy to store the power from the
Sun as chemical energy. One major challenge is to obtain efficient photocatalytic systems …
Sun as chemical energy. One major challenge is to obtain efficient photocatalytic systems …
CO2 Capture by TiO2 Anatase Surfaces: A Combined DFT and FTIR Study
In this work, by combining FTIR results with periodic DFT calculations, we highlight the role
of different anatase surface sites in the CO2 adsorption and in the subsequent reactions. It is …
of different anatase surface sites in the CO2 adsorption and in the subsequent reactions. It is …
How Oxygen Vacancies Activate CO2 Dissociation on TiO2 Anatase (001)
The adsorption, dissociation, and diffusion of CO2 on the anatase (001) surface was studied
using DFT by means of the generalized gradient approximation using the Perdew–Burcke …
using DFT by means of the generalized gradient approximation using the Perdew–Burcke …
Probing Surface Structures of CeO2, TiO2, and Cu2O Nanocrystals with CO and CO2 Chemisorption
S Chen, T Cao, Y Gao, D Li, F **ong… - The Journal of Physical …, 2016 - ACS Publications
CO and CO2 chemisorption on uniform CeO2, TiO2, and Cu2O nanocrystals with various
morphologies were comprehensively studied with in-situ diffuse reflectance infrared Fourier …
morphologies were comprehensively studied with in-situ diffuse reflectance infrared Fourier …
Effects of the morphology and crystal-plane of TiO2 on NH3-SCR performance and K tolerance of V2O5-WO3/TiO2 catalyst
J Cao, W Liu, KK Kang, L Chen, X Qiao… - Applied Catalysis A …, 2021 - Elsevier
Abstract V 2 O 5-WO 3/TiO 2 is the commercial NH 3-SCR catalyst, the morphology and
crystal-plane of its support can influence the denitration performance and K tolerance …
crystal-plane of its support can influence the denitration performance and K tolerance …
Location and activity of VOx species on TiO2 particles for NH3-SCR catalysis
The role of anatase TiO 2 on the performance of VO x-TiO 2 is studied by in situ
spectroscopies on a series of catalysts with 1.9–9.7 V at/nm 2. At low coverages, VO x is …
spectroscopies on a series of catalysts with 1.9–9.7 V at/nm 2. At low coverages, VO x is …
Synergy between Defects, Photoexcited Electrons, and Supported Single Atom Catalysts for CO2 Reduction
Dispersed atomic catalysts can achieve high catalytic efficiency and have the potential to
enable chemical transformation of inert molecules like CO2. The effect of surface defects on …
enable chemical transformation of inert molecules like CO2. The effect of surface defects on …
Understanding the nature and location of hydroxyl groups on hydrated titania nanoparticles
TiO2 nanoparticles (NPs) are intensively studied and widely used due to their huge potential
in numerous applications involving their interaction with ultraviolet light (eg, photocatalysis …
in numerous applications involving their interaction with ultraviolet light (eg, photocatalysis …