Germanium‐based monoelemental and binary two‐dimensional materials: Theoretical and experimental investigations and promising applications
Abstract Two‐dimensional (2D) materials based on group IVA elements have attracted
extensive attention owing to their rich chemical structures and novel properties. This …
extensive attention owing to their rich chemical structures and novel properties. This …
Homoatomic flatlands beyond graphene: A new avenue for gas sensors
JT Mazumder, S Pandey, RK Jha - Coordination Chemistry Reviews, 2024 - Elsevier
Since the discovery of graphene, research on finding such materials has extended quite fast
in the last two decades. The layered architecture and very thin vertical height make it a two …
in the last two decades. The layered architecture and very thin vertical height make it a two …
Transition metal-decorated germanene for NO, N2 and O2 sensing: A DFT study
Detecting hazardous and toxic gasses is important to avoid harmful effects on human health
and two-dimensional nanostructures have emerged as candidate materials for sensing or …
and two-dimensional nanostructures have emerged as candidate materials for sensing or …
Carbon monoxide adsorption on different sub-lattice sites of nitrogen and phosphorous doped and Co-doped germanene-a first principle study
In this work, using first principle calculation, the Carbon Monoxide (CO) adsorption on
Nitrogen (N), Phosphorus (P) doped, and co-doped monolayer Germanene (Ge) is …
Nitrogen (N), Phosphorus (P) doped, and co-doped monolayer Germanene (Ge) is …
Transition metal decorated ZnO monolayer for CO and NO sensing: A DFT+ U study with vdW correction
Based on density functional theory, we study the adsorption of CO and NO gas molecules on
transition metal (Fe, Co, Ni, Cu) decorated ZnO monolayer (ZnO ML), with the electronic …
transition metal (Fe, Co, Ni, Cu) decorated ZnO monolayer (ZnO ML), with the electronic …
First-principle investigation of CO, CH4, and CO2 adsorption on Cr-doped graphene-like hexagonal borophene
C Wang, C Gao, J Hou, Q Duan - Journal of Molecular Modeling, 2022 - Springer
It is important for life safety and scientific research to design new sensing materials for
detecting CO, CH4, and CO2 from the environment. We theoretically designed a new Cr …
detecting CO, CH4, and CO2 from the environment. We theoretically designed a new Cr …
Theoretical analysis of the uptake of CO, CO2, and NO2 on pristine and BN-doped carbon nanocones
E García-Hernández, A Flores-López… - Chemical Physics …, 2022 - Elsevier
Ab initio simulations were performed to evaluate the use of pristine and BN-doped carbon
nanocones as adsorption platforms or sensors of harmful gases CO, CO 2, and NO 2. The …
nanocones as adsorption platforms or sensors of harmful gases CO, CO 2, and NO 2. The …
Adsorption performance of harmful gas molecules over copper decorated aluminene: A DFT study
Detecting hazardous and toxic gases and their removal from environment is essential for
human health. 2D materials plays vital role for gas sensing or scavenging. Density functional …
human health. 2D materials plays vital role for gas sensing or scavenging. Density functional …
Adsorption attributes of methyl naphthalene and naphthalene on P-Germanane sheets–a DFT outlook
The adsorption attributes of methyl naphthalene and naphthalene molecules on P-
Germanane sheets are explored based on the density functional theory method. The novel P …
Germanane sheets are explored based on the density functional theory method. The novel P …
“Intermediate template” assisted assembly growth of transition metal doped 2D porous boron nitride sheet as an efficient adsorbent for CO2 capture
X Zeng, S Li, H Chen, W Fang, X He, X Du, D Wang… - Surfaces and …, 2022 - Elsevier
Transition metal doped 2D h-BN as a promising CO 2 adsorbent has recently been
recognized, but the key to obtaining high-yield BN nanomaterials is to develop a simple …
recognized, but the key to obtaining high-yield BN nanomaterials is to develop a simple …