Intrinsically poor reactivity restricts pure hematite (α-Fe 2 O 3) from practical photo-Fenton-
like systems. Surface structure engineering is considered one of effective methods to tune its …

High theoretical specific energy of rechargeable lithium–oxygen (Li–O2) batteries makes
them very promising in the development of long driving range electric vehicles and energy …

Substitution of a metal cation by Mo and its effects on vacancy formation on (0001)-oriented
chromia and hematite surfaces were studied using DFT calculations to provide atomistic …

Considerable attention has been focused on layered double hydroxides (LDHs) for their
applications in solar energy storage and conversion recently, but the in-depth investigation …

First-principles simulation has played an ever-increasing role in the discovery and
interpretation of the chemical properties of surface–adsorbate interactions. Nevertheless …

The use of nickel–cobalt tailings rich in nickel, cobalt, and iron to produce catalytic materials
that drive advanced oxidation systems for PMS is a sustainable strategy. This study uses a …

At an interface between two materials physical properties and functionalities may be
achieved, which would not exist in either material alone. Epitaxial inorganic interfaces are at …

We perform ab initio DFT+ U calculations and experimental studies of the partial oxidation of
methane to syngas on iron oxide oxygen carriers to elucidate the role of oxygen vacancies …

Hematite (α-Fe2O3) is a promising photoanode material for photoelectrochemical water
splitting. Surface-passivating layers are effective in improving water oxidation kinetics; …

In the area of catalysis, selective reduction of nitro compounds to amino compounds is a
colossal challenge due to the existence of competitive reducible functional groups. Herein …