The Brønsted acidity of proton-exchanged zeolites has historically led to the most impactful
applications of these materials in heterogeneous catalysis, mainly in the fields of …

Zeolites are versatile and fascinating materials which are vital for a wide range of industries,
due to their unique structural and chemical properties, which are the basis of applications in …

The discovery of the dual aromatic-and olefin-based catalytic cycles in methanol-to-
hydrocarbons (MTH) catalysis on acid zeolites has given a new context for rationalizing …

Ensemble-averaged deprotonation energies (DPE) derived from periodic density functional
theory models are insensitive to the location of isolated Al atoms and associated protons …

Within this Perspective, we critically reflect on the role of first-principles molecular dynamics
(MD) simulations in unraveling the catalytic function within zeolites under operating …

Hydrocarbons and their transformations play major roles in chemistry as raw materials and
sources of energy. Diminishing petroleum supplies, regulatory problems, and environmental …

The ability of molecular sieves to control the access and egress of certain reactants and
products and to preferentially contain certain transition states while excluding others based …

In this article, we considered all aspects of acidity (nature of acid sites, strength, density, etc.)
in solid catalysts and in zeolites in particular. After reminding the definition of acidity in liquid …

The isomerization of alkanes into corresponding branched isomers is one of the important
processes in petroleum refining. Though the so-called bifunctional catalysts are used in …

The location of Brønsted acid sites within zeolite channels strongly influences reactivity
because of the extent to which spatial constraints determine the stability of reactants and of …