Analysis of electron wavefunction is a key component of quantum chemistry investigations
and is indispensable for the practical research of many chemical problems. After more than …

With the accumulation of chemical and biological experimental data and the continuous
development of mathematical statistical algorithms, quantitative structure–activity …

Catalyst‐free visible light assisted Fenton‐like catalysis offers opportunities to achieve the
sustainable water decontamination, but the synergistic decontamination mechanisms are …

Unsaturated environment is the key to affect catalytic activity of the oxygen reduction
reaction (ORR). Unveiling the effect of unsaturated sites toward ORR activity is of importance …

Polycyclic aromatic hydrocarbons (PAHs) with boron–nitrogen (BN) moieties have attracted
tremendous interest due to their intriguing electronic and optoelectronic properties …

Rational design of highly efficient multi-heterojunction photocatalyst with separated charge
transfer channels still remains a challenge. Herein, a novel La 2 Ti 2 O 7/gC 3 N 4/AgI …

Polyamide composite membranes synthesized by conventional interfacial polymerization
(IP) have attracted much attention for desalination to overcome the water shortage crisis. A …

Multiwfn is an open‐source, freely available post‐processing software aiming for analyzing
the electronic structure of molecular systems. Electronic wave function produced by most …

As a typical iron-based oxide semiconductor with abundant reserves, α-Fe 2 O 3 has been
widely used in the domain of photocatalysis and environmental remediation. Here, sulfur …

The synergistic effect of carbon materials with high sp 2/sp 3 hybridized carbon ratio and
metal materials can enhance the efficiency of peroxymonosulfate (PMS) based advanced …