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Controllable Repairing the Single Vacancies of Bc3 Monolayer Using Co and Bf Molecules: A First-Principles Study
76/76 checkable references clean · checked 2026-09-06
Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.
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The 76 checked references that resolve
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Predicting Two-Dimensional Boron–Carbon Compounds by the Global Optimization Method
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High-temperature superconductivity in heavily N- or B-doped graphene
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Two-dimensional stoichiometric boron carbides with unexpected chemical bonding and promising electronic properties
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Strain-tunable electronic and optical properties of BC
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Topological<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>p</mml:mi><mml:mo>+</mml:mo><mml:mi>i</mml:mi><mml:mi>p</mml:mi></mml:mrow></mml:math>superconductivity in doped graphene-like single-sheet materials<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>BC</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>
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Structural and electronic properties of crystalline graphite-like BC3
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Theoretical Studies on the Electronic and Optical
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Transition-metal single atoms embedded into defective BC
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Hydrogen molecule capacity physisorption on BC3 monolayer: First-principles calculations
resolves10.1002/cphc.201402696
BC<sub>3</sub> Sheet Functionalized with Lithium‐Rich Species Emerging as a Reversible Hydrogen Storage Material
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Reversible Hydrogen Uptake by BN and BC<sub>3</sub> Monolayers Functionalized with Small Fe Clusters: A Route to Effective Energy Storage
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Hydrogen Storage on Li Coated <scp>BC<sub>3</sub></scp> Honeycomb Sheet
resolves10.1016/j.ijhydene.2019.01.222
The enhancement of hydrogen storage capacity in Li, Na and Mg-decorated BC3 graphene by CLICH and RICH algorithms
resolves10.1039/D1TB00897H
Analysis of 2D nanomaterial BC
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DFT study of adsorption behavior of NO, CO, NO2, and NH3 molecules on graphene-like BC3: A search for highly sensitive molecular sensor
resolves10.1016/j.apsusc.2020.145637
Superior sensitivity of metal functionalized boron carbide (BC3) monolayer towards carbonaceous pollutants
resolves10.1016/j.physe.2021.114762
Enhanced SOx sensing performance of BC3 nanosheets functionalized with Na atoms: A first-principles study
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High-capacity electrode material BC<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>3</mml:mn></mml:msub></mml:math>for lithium batteries proposed by<i>ab initio</i>simulations
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Hexagonal BC3: A Robust Electrode Material
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resolves10.1021/acs.jpcc.7b02290
Hexagonal BC<sub>3</sub> Electrode for a High-Voltage Al-Ion Battery
resolves10.1016/j.jpcs.2019.109319
First-principles study of BC3 monolayer as anodes for lithium-ion and sodium-ion batteries applications
resolves10.1016/j.cclet.2020.07.016
First-principles calculations of stability of graphene-like BC3 monolayer and its high-performance potassium storage
resolves10.1021/acs.jpcc.9b11441
Stone–Wales Defect Induced Performance Improvement of BC
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Monolayer for High Capacity Lithium-Ion Rechargeable Battery Anode Applications
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Mass production of two-dimensional materials beyond graphene and their applications
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Plasma-Enhanced Chemical Vapor Deposition of Two-Dimensional Materials for Applications
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Electric Field Effects on the Adsorption of CO on a Graphene Nanodot and the Healing Mechanism of a Vacancy in a Graphene Nanodot
resolves10.1103/PhysRevB.83.245403
Controllable healing of defects and nitrogen doping of graphene by CO and NO molecules
resolves10.1039/c4ra02833c
The healing of N-vacancy in boron nitride nanotube by using NO and NO2 molecules: a density functional theoretical study
resolves10.1039/C6TC01746K
Repairing sulfur vacancies in the MoS
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resolves10.1021/acsnano.7b04162
Chemical and Electronic Repair Mechanism of Defects in MoS<sub>2</sub> Monolayers
resolves10.1039/C8CP01653D
Repairing single and double atomic vacancies in a C
<sub>3</sub>
N monolayer with CO or NO molecules: a first-principles study
resolves10.1039/C9NA00041K
Repairing the N-vacancy in an InN monolayer using NO molecules: a first-principles study
resolves10.1103/PhysRevLett.100.136406
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
resolves10.1063/1.458452
An all-electron numerical method for solving the local density functional for polyatomic molecules
resolves10.1002/jcc.20495
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
resolves10.1016/S0927-0256(03)00111-3
A generalized synchronous transit method for transition state location
resolves10.1016/j.apsusc.2021.149383
Highly enhanced NH3-sensing performance of BC6N monolayer with single vacancy and Stone-Wales defects: A DFT study
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Gas Sensing Performance of Pristine and Monovacant C<sub>6</sub>BN Monolayers Evaluated by Density Functional Theory and the Nonequilibrium Green’s Function Formalism
The 11 references without a DOI — listed, not checked
no DOI — not checkedTransfer of large-scale twodimensional semiconductors: challenges and developments
no DOI — not checkedOpening two-dimensional materials for energy conversion and storage: A Concept
no DOI — not checkedPredicting the structural, elastic and electronic properties of new twodimensional carbon and silicon monolayers
no DOI — not checkedref22
no DOI — not checkedRemarkable band-gap renormalization via dimensionality of the layered material C 3 B
no DOI — not checkedPhonon-limited mobility for novel twodimensional semiconductors of BC 3 and C 3 N: First-principles calculation
no DOI — not checkedref48
no DOI — not checkedComparative study the impact of single and double vacancy defects in BC 3 fragment on the acetaminophen detection
no DOI — not checkedSilicon doped boron carbide (BC 3 ) nanosheet as a promising sensitive material for detection of acetaminophen drug based on the DFT approach
no DOI — not checkedAdsorption, sensing and optical properties of molecules on BC 3 monolayer: First-principles calculations
no DOI — not checkedFunctional thiols as repair and doping agents of defective MoS2 monolayers
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