H2O2 is important in large-scale industrial processes and smaller on-site activities. The
present industrial route to H2O2 involves hydrogenation of an anthraquinone and O2 …

Big data and artificial intelligence has revolutionized science in almost every field–from
economics to physics. In the area of materials science and computational heterogeneous …

Hydrogen peroxide is a valuable chemical oxidant with a wide range of applications in a
variety of industrial processes, especially in water sanitization. Electrochemical synthesis of …

Revealing and characterizing the catalytic sites, along with elucidating a convenient activity
descriptor, can provide essential guidance in determining efficient electrocatalytic catalysts …

At the forefront of nanochemistry, there exists a research endeavor centered around
intermetallic nanocrystals, which are unique in terms of long‐range atomic ordering, well …

Surging interests exist in double‐atom catalysts (DACs), which not only inherit the
advantages of single‐atom catalysts (SACs)(eg, ultimate atomic utilization, high activity, and …

Adsorption is essential for many processes on surfaces; therefore, an accurate prediction of
adsorption properties is demanded from both fundamental and technological points of view …

We present a holistic machine-learning framework for rapid screening of bimetallic catalysts
with the aid of the descriptor-based kinetic analysis. A catalyst database, which contains the …

We present a machine-learning-augmented chemisorption model that enables fast and
accurate prediction of the surface reactivity of metal alloys within a broad chemical space …

At present, alloys have broad application prospects in heterogeneous catalysis, due to their
various catalytic active sites produced by their vast element combinations and complex …