LAUSR

Two dimensional InSe/C2N van der Waals heterojunction as enhanced visible-light-responsible photocatalyst for water splitting

Sign Up to like & get
recommendations!
0 Published in 2019 at "Applied Surface Science"

DOI: 10.1016/j.apsusc.2019.03.344

Abstract: Abstract Two-dimensional (2D) indium selenium (InSe) nanosheet and nitrogenated holey structure (C2N) have been successfully fabricated and show the potential in photocatalytic applications. Herein, we employ hybrid density function theory to study the structural, optical,… read more here.

Keywords: inse c2n; van der; c2n van; heterojunction ... See more keywords

Controlled Pore Sizes in Monolayer C2N Act as Ultrasensitive Probes for Detection of Gaseous Pollutants (HF, HCN, and H2S)

Sign Up to like & get
recommendations!
1 Published in 2018 at "Journal of Physical Chemistry C"

DOI: 10.1021/acs.jpcc.7b11963

Abstract: Porous two-dimensional monolayers have gained interest both in theoretical and experimental research because of their controlled pore size and evenly distributed holes within the basal plane. Herein, we have investigated the efficient trapping of three… read more here.

Keywords: pollutants hcn; monolayer; c2n; hcn h2s ... See more keywords

Versatile, Aqueous Soluble C2N Quantum Dots with Enriched Active Edges and Oxygenated Groups.

Sign Up to like & get
recommendations!
1 Published in 2020 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.9b11169

Abstract: C2N has emerged as a new family of promising two-dimensional (2D) layered frameworks in both fundamental studies and potential applications. Transforming bulk C2N into zero-dimensional quantum dots (QDs) could induce unique quantum confinement and edge… read more here.

Keywords: edges oxygenated; c2n; oxygenated groups; active edges ... See more keywords

Ab initio insights on the effect of embedding lanthanide atoms on nitrogenated holey doped graphene (g-C2N)

Sign Up to like & get
recommendations!
1 Published in 2018 at "Journal of Materials Chemistry C"

DOI: 10.1039/c8tc00474a

Abstract: Within the density functional theory formalism with the Hubbard correction (DFT+U) we explore how the structural, electronic and magnetic properties of nitrogenated holey doped graphene (g-C2N) can be tuned through embedding of lanthanide atoms. The… read more here.

Keywords: nitrogenated holey; lanthanide atoms; c2n; doped graphene ... See more keywords

Out-of-plane ion transport makes nitrogenated holey graphite a promising high-rate anode for both Li and Na ion batteries.

Sign Up to like & get
recommendations!
1 Published in 2019 at "Nanoscale"

DOI: 10.1039/c9nr06011a

Abstract: The search for suitable anodes with good performance is a key challenge for rechargeable Li- and Na-ion batteries (LIBs and NIBs). In this work, we adopt first-principles calculations and ab initio molecular dynamics simulations to… read more here.

Keywords: ion transport; c2n; ion; ion batteries ... See more keywords

A DFT study on the adsorption of SO2 on Al x -C2N (x = 1, 2) monolayer

Sign Up to like & get
recommendations!
0 Published in 2020 at "Molecular Simulation"

DOI: 10.1080/08927022.2020.1778172

Abstract: ABSTRACT In this paper, the Al-doped C2N monolayers (Al-C2N and Al2-C2N) are proposed as a new type of gas adsorbent for air pollution. Based on first-principle calculations, the adsorption properties of Al-C2N and Al2-C2N for… read more here.

Keywords: adsorption; c2n al2; c2n; al2 c2n ... See more keywords

Tetrahedral W4 cluster confined in graphene-like C2N enables electrocatalytic nitrogen reduction from theoretical perspective

Sign Up to like & get
recommendations!
1 Published in 2022 at "Nanotechnology"

DOI: 10.1088/1361-6528/ac5bb9

Abstract: Exploring the format of active site is essential to further the understanding of an electrocatalyst working under ambient conditions. Herein, we present a DFT study of electrocatalytic nitrogen reduction (eNRR) on W4 tetrahedron embedded in… read more here.

Keywords: electrocatalytic nitrogen; like c2n; graphene like; c2n ... See more keywords

Si-Doped Nitrogenated Holey Graphene (C2N) as a Promising Gas Sensor for O-Containing Volatile Organic Compounds (VOCs) and Ammonia

Sign Up to like & get
recommendations!
1 Published in 2023 at "Crystals"

DOI: 10.3390/cryst13050816

Abstract: Two-dimensional (2D) crystalline materials have been regarded as promising sensor materials due to their large specific surface area, high sensitivity, and low cost. In the present work, based on the density functional theory (DFT) method,… read more here.

Keywords: nitrogenated holey; gas; c2n; doped nitrogenated ... See more keywords

Remarkable Single Atom Catalyst of Transition Metal (Fe, Co & Ni) Doped on C2N Surface for Hydrogen Dissociation Reaction

Sign Up to like & get
recommendations!
1 Published in 2022 at "Nanomaterials"

DOI: 10.3390/nano13010029

Abstract: Currently, hydrogen is recognized as the best alternative for fossil fuels because of its sustainable nature and environmentally friendly processing. In this study, hydrogen dissociation reaction is studied theoretically on the transition metal doped carbon… read more here.

Keywords: dissociation reaction; c2n; c2n surface;