Switching behavior of a heterostructure based on periodically doped graphene nanoribbon
We theoretically propose a switching device that operates at room temperature. The device
is an in-plane heterostructure based on a periodically boron-doped (nitrogen-doped) …
is an in-plane heterostructure based on a periodically boron-doped (nitrogen-doped) …
The defect chemistry of carbon frameworks for regulating the lithium nucleation and growth behaviors in lithium metal anodes
Carbon materials have been widely considered as the frameworks in lithium (Li) metal
anodes due to their lightweight, high electrical conductivity, and large specific surface area …
anodes due to their lightweight, high electrical conductivity, and large specific surface area …
Informing air–carbon ablation modeling with theoretical calculations of atomic oxygen and nitrogen interacting with carbon surfaces
To understand the gas–surface chemistry above the thermal protection system of a
hypersonic vehicle, it is necessary to map out the kinetics of key elementary reaction steps …
hypersonic vehicle, it is necessary to map out the kinetics of key elementary reaction steps …
Spin-dependent band-gap driven by nitrogen and oxygen functional groups in zigzag graphene nanoribbons
F López-Urías, JL Fajardo-Díaz, AJ Cortés-López… - Applied Surface …, 2020 - Elsevier
We investigated the role of nitrogen and oxygen functional groups on the electronic and
magnetic properties of zigzag graphene nanoribbons (ZGNRs) using spin-polarized first …
magnetic properties of zigzag graphene nanoribbons (ZGNRs) using spin-polarized first …
Structural, electronic and magnetic properties of some adatoms adsorbed at the edges and Mg-doped SiC nanoribbons
N Taheri, M Moradi, MH Farzad - Computational Condensed Matter, 2022 - Elsevier
In this paper, we use the density functional theory to study comprehensively the structural,
electronic and magnetic properties of the B-, F-and H-terminated edges of SiC nanoribbons …
electronic and magnetic properties of the B-, F-and H-terminated edges of SiC nanoribbons …
Effect of the Position of Amine Groups on the CO2, CH4, and H2 Adsorption Performance of Graphene Nanoflakes
CO2 separation from CO2/CH4 and CO2/H2 mixtures is essential in H2 production from
biogas. Although amine-functionalized carbon materials are excellent candidates for …
biogas. Although amine-functionalized carbon materials are excellent candidates for …
Theoretical insights into the methane catalytic decomposition on graphene nanoribbons edges
NF Xavier Jr, AJR Payne, GF Bauerfeldt… - Frontiers in …, 2023 - frontiersin.org
Catalytic methane decomposition (CMD) is receiving much attention as a promising
application for hydrogen production. Due to the high energy required for breaking the CH …
application for hydrogen production. Due to the high energy required for breaking the CH …
Tuning Na adsorption on the edge of a graphitic nanopore by incorporating a functionalized-ligand and single-heteroatom dopant
The formation of functionalized nanopores on graphene has been shown to improve the Na
adsorption strength significantly. However, the fundamental design structure that improves …
adsorption strength significantly. However, the fundamental design structure that improves …
Electronic structures of defects in bottom-up N-doped graphene nanoribbons: Experiment and theory
B Li, L Gao, Y Zhang, Z Ruan, H Zhou, J Geng… - Applied Surface …, 2023 - Elsevier
Graphene nanoribbons (GNRs) possess atomically tunable electronic structures via
modulating the width, edge structures and various defects. Here, the electronic structures of …
modulating the width, edge structures and various defects. Here, the electronic structures of …
Holey nitrogen-doped multiwalled carbon nanotubes from extended air oxidation at low-temperature
We investigated the effects of long-time thermal oxidation (LTO) of nitrogen-doped
multiwalled carbon nanotubes (N-MWCNTs) at 330° C in air. By scanning electron …
multiwalled carbon nanotubes (N-MWCNTs) at 330° C in air. By scanning electron …