C3N monolayers as promising candidates for NO2 sensors
Searching for suitable materials for NO 2 sensing has important scientific significance and
application value. First-principles calculations have been performed on the adsorption of NO …
application value. First-principles calculations have been performed on the adsorption of NO …
Electro-optical properties of monolayer and bilayer boron-doped C3N: tunable electronic structure via strain engineering and electric field
A Bafekry, M Yagmurcukardes, M Shahrokhi… - Carbon, 2020 - Elsevier
In this work, the structural, electronic and optical properties of monolayer and bilayer of
boron doped C3N are investigated by means of density functional theory-based first …
boron doped C3N are investigated by means of density functional theory-based first …
Adsorption of Metallic, Metalloidic, and Nonmetallic Adatoms on Two-Dimensional C3N
Two-dimensional polyaniline with a C3N stoichiometry is a newly fabricated material that is
expected to possess fascinating electronic, thermal, mechanical, and chemical properties …
expected to possess fascinating electronic, thermal, mechanical, and chemical properties …
Superior Selectivity and Sensitivity of C3N Sensor in Probing Toxic Gases NO2 and SO2
The adsorption of gas molecules, such as N 2, O2, CO 2, H2O, CO, NO, NO 2, H2S, NH 3,
and SO 2 on monolayer C 3 N has been investigated by means of first-principles and non …
and SO 2 on monolayer C 3 N has been investigated by means of first-principles and non …
Rational design of a C 3 N/C 3 B p–n heterostructure as a promising anode material in Li-ion batteries
It is urgent to develop high-performance anode materials for lithium-ion batteries. In this
work, a C3N/C3B p–n heterostructure was systematically investigated by first-principles …
work, a C3N/C3B p–n heterostructure was systematically investigated by first-principles …
Bilayer and Trilayer C3N/Blue-Phosphorene Heterostructures as Potential Anode Materials for Potassium-Ion Batteries
Two-dimensional (2D) van der Waals heterostructures outperform conventional anode
materials for postlithium-ion batteries in terms of mechanical, thermal, and electrochemical …
materials for postlithium-ion batteries in terms of mechanical, thermal, and electrochemical …
Electronic and mechanical properties of monolayers and their heterostructures
Inspired by the successful synthesis of bulk ScSI in a recent work [Ferrenti et al., Chem.
Mater. 34, 5443 (2022) 10.1021/acs. chemmater. 2c00318], we have systematically …
Mater. 34, 5443 (2022) 10.1021/acs. chemmater. 2c00318], we have systematically …
Tunable properties of two-dimensional bilayer C3N as anode material: Bandgap, binding energy, and diffusion barrier
Numerous studies have demonstrated that adjusting the stacking pattern of bilayer materials
can modulate their electrical properties. However, whether such adjustments can also …
can modulate their electrical properties. However, whether such adjustments can also …
Spontaneous Dumbbell Formations via Surface Functionalization of the C3N Monolayer with Versatile Electronic and Mechanical Properties
This article theoretically explores the formation of dumbbell (DB)-like structures by elemental
adsorption on the recently synthesized C3N monolayer. Owing to the repulsion from N …
adsorption on the recently synthesized C3N monolayer. Owing to the repulsion from N …
Theoretical design of C3N/Borophene heterostructure as high-performance anode materials for Li-ion batteries
C 3 N has been widely studied as an anode material for lithium-ion batteries due to its
excellent mechanical properties and high lithium storage capacity. However, the low mobility …
excellent mechanical properties and high lithium storage capacity. However, the low mobility …