Porous media (PM) catalytic combustion offers a potential strategy for stable and efficient
combustion of low-concentration methane (LCM). Herein, a porous media catalyst loaded …

Titanium dioxide (TiO2) is one of the most technologically promising oxides with a broad
range of catalytic and photocatalytic activities. Theoretical modeling, especially density …

The source of activity of metal/metal oxides has always been an interesting, important but
highly challenging research topic in heterogeneous catalysis. In CO oxidation reaction, this …

Thermal catalytic oxidation at room temperature using a noble metal catalyst is a rapid,
stable, and efficient removal strategy for HCHO, a ubiquitous indoor air pollutant. However …

Understanding the nature of the interaction between a metal and support, which is known as
the metal–support interaction, in supported metal catalysts is crucial to design catalysts with …

Scaling relations are widely used to model catalytic reactions on metal surfaces, but they are
less commonly applied to metal oxides. Oxygen vacancy formation energies have been …

Low concentration methane (LCM) from coal mining is hardly utilized by combustion or
oxidation due to its low concentration and fluctuation. Herein, a porous media catalytic …

The present work focuses on the catalytic activity of Pt nanoclusters as well as single-atom
Pt catalysts supported by TiO2 and Co3O4. We performed an extensive set of calculations …

The cost-effective production of green hydrogen is one of the most important challenges for
a sustainable energy transition. To decrease the cost of the production of hydrogen through …

The nature of a Rh single‐atom catalyst (SAC) stabilized on the surface of tetragonal
zirconia, t‐ZrO2, is investigated here by performing extensive DFT calculations on various …