In recent years, the peracetic acid (PAA)-based advanced oxidation process (AOPs) has
garnered significant attention in the field of water treatment due to rapid response time and …

Oriented generation of specific reactive oxygen species (ROS) has been challenging in
peroxymonosulfate (PMS)-based advanced oxidation processes (AOPs). In this work, we …

Carbon nanotubes (CNTs) have received enormous attention due to their fascinating
properties to be used in various applications including electronics, sensing, energy storage …

Sequential excitation energy and electron transfer (ET) are ubiquitous pathways for
converting solar energy to chemical energy in photosynthesis. Mimicking this unique …

The transport characteristics of water molecules in carbon nanotubes (CNTs) is studied in
this work using molecular dynamics simulation method. The effect of channel diameter …

The paint corrosion protection mechanism has been studied by density functional
B3LYPGD3/6-31G (d, p) method using Gaussian09 program. The quantum-chemical study …

Abstract Al/N co-doped (10, 0) SWCNT was investigated through density functional theory
(DFT) calculations to find out its sensing properties for the toxic CO gas. The results were …

Corrosion is a huge concern for most industrialised countries. Natural gas as well as crude
oil usually contain several highly contaminated products, which are naturally corrosive. A …

We investigate the binding of ammonia on intrinsic and substitutionally doped
semiconducting single‐walled carbon nanotubes (SWCNTs) on the side walls using density …

Phenalenyl, zethrene, and extended zethrene molecules were employed to study the
change in electronic properties of graphene surfaces upon exposure to oxygen atmosphere …