The elimination of formaldehyde at room temperature holds immense potential for various
applications, and the incorporation of a catalyst rich in surface hydroxyl groups and oxygen …

In this work, we analyze the Cu-embedding behavior on the PtSe 2 monolayer as well as the
sensing potential of the Cu-embedded PtSe 2 (Cu-PtSe 2) monolayer upon CO and HCHO …

Herein, we performed a theoretical investigation of the reactivities of graphene and 2D-BN.
The results indicate that 2D-BN can display chemistry comparable to that of graphene. As …

Using density functional theory, we have studied the trapping of formaldehyde on
hydrogenated boron nitride nanosheets. On the nitrogen terminated side, the formaldehyde …

Based on first principles calculations, we have studied the adsorption of formaldehyde (CH 2
O) on a hydrogenated gallium nitride (H-GaN) monolayer with a H vacancy. On the N side of …

The potential applicability of newly synthesized B 36 nanosheet as a chemical sensor for
formaldehyde (HCHO), acetaldehyde (CH 3 CHO) or propanal (CH 3 CH 2 CHO) pollutants …

Dimethyl sulfoxide (DMSO) is widely used in industrial, medical, and other applications.
However, it has been demonstrated that DMSO is toxic at low concentrations. Therefore, it is …

The design of novel gas sensors based on two-dimensional systems has grown rapidly in
the last few years due to the remarkable reactivity of their surfaces. Formaldehyde trapping …

Organic functionalization of nanomaterials offers exceptional flexibility in materials design,
and applications in molecular sensors and molecular electronics are expected. However …

The use of new two-dimensional systems to detect and capture organic molecules remains a
vital research area. In this work, we have investigated, by first-principles calculations, the …