The utilization of captured CO 2 for chemical synthesis could play an important role in
reducing CO 2 emissions. Higher alcohols stand out among various products of CO 2 …

Two-dimensional transition metal dichalcogenides (TMDs), also known as MX2, have
attracted considerable attention due to their structure analogous to graphene and unique …

The stepwise catalytic reduction of carbon dioxide (CO2) to formic acid, formaldehyde, and
methanol opens non-fossil pathways to important platform chemicals. The present article …

For more than a dozen years,“breaking scaling relations” has been regarded by many as a
top priority in computational and experimental electrocatalysis. Numerous works claim to …

The successful large-scale implementation of hydrogen as an energy vector requires high
performance electrodes and catalysts made of abundant materials. Rational materials …

With the advent of high-throughput methods for both computation and experimentation, data-
rich approaches to discovering and understanding chemical reactions are becoming ever …

Simulations of chemical reactivity in condensed phase systems represent an ongoing
challenge in computational chemistry, where traditional quantum chemical approaches …

A catalyst possessing a broad substrate scope, in terms of both turnover and
enantioselectivity, is sometimes called “general”. Despite their great utility in asymmetric …

High-entropy ceramics are an emerging class of materials with fascinating characteristics.
However, elemental immiscibility and crystal complexity limit the development of a general …

Now-a-days use of environment-friendly alternative energy has become a common practice,
as the conventional fossil fuel energy is being depleted exponentially. Also, the by-products …