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Tuning the Electronic Properties of the Titanium Carbide Mxene with Variable Sublattice Oxygen Composition

https://doi.org/10.2139/ssrn.4644339
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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/adma.201102306openalex-extracted
Two‐Dimensional Nanocrystals Produced by Exfoliation of Ti 3 AlC 2
inferredcites →https://doi.org/10.1002/adma.201805472openalex-extracted
2D Transition Metal Carbides (MXenes) for Carbon Capture
inferredcites →https://doi.org/10.1002/smll.201804736openalex-extracted
2D Early Transition Metal Carbides (MXenes) for Catalysis
inferredcites →https://doi.org/10.1016/j.commatsci.2005.04.010openalex-extracted
A fast and robust algorithm for Bader decomposition of charge density
inferredcites →https://doi.org/10.1016/j.cplett.2014.03.003openalex-extracted
Exploring the limits: A low-pressure, low-temperature Haber–Bosch process
inferredcites →https://doi.org/10.1016/j.mtchem.2023.101441openalex-extracted
Effect of the surface termination on the adsorption of flue gas by the titanium carbide MXene
inferredcites →https://doi.org/10.1021/acs.chemmater.9b01105openalex-extracted
In Situ XANES/XRD Study of the Structural Stability of Two-Dimensional Molybdenum Carbide Mo2CTx: Implications for the Catalytic Activity in the Water–Gas Shift Reaction
inferredcites →https://doi.org/10.1021/acs.jpcc.1c07577openalex-extracted
Identifying the Atomic Layer Stacking of Mo2C MXene by Probe Molecule Adsorption
inferredcites →https://doi.org/10.1021/acscatal.0c00935openalex-extracted
Facile Heterogeneously Catalyzed Nitrogen Fixation by MXenes
inferredcites →https://doi.org/10.1021/acscatal.0c03106openalex-extracted
MXenes: New Horizons in Catalysis
inferredcites →https://doi.org/10.1021/acscatal.1c02663openalex-extracted
Carbon Capture and Usage by MXenes
inferredcites →https://doi.org/10.1038/s41524-022-00885-6openalex-extracted
High-throughput design of functional-engineered MXene transistors with low-resistive contacts
inferredcites →https://doi.org/10.1038/s41565-022-01214-0openalex-extracted
Oxycarbide MXenes and MAX phases identification using monoatomic layer-by-layer analysis with ultralow-energy secondary-ion mass spectrometry
inferredcites →https://doi.org/10.1039/c5cp00062aopenalex-extracted
Theoretical investigation of thermodynamic stability and mobility of the intrinsic point defects in Ti 3 AC 2 (A = Si, Al)
inferredcites →https://doi.org/10.1039/c7cp06593kopenalex-extracted
Carbon vacancies in Ti 2 CT 2 MXenes: defects or a new opportunity?
inferredcites →https://doi.org/10.1039/c7ta11379jopenalex-extracted
CO 2 abatement using two-dimensional MXene carbides
inferredcites →https://doi.org/10.1039/c8cp02746copenalex-extracted
Two-dimensional nitrides as highly efficient potential candidates for CO 2 capture and activation
inferredcites →https://doi.org/10.1039/d1ta04097aopenalex-extracted
Applications of MAX phases and MXenes as catalysts
inferredcites →https://doi.org/10.1063/1.1323224openalex-extracted
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
inferredcites →https://doi.org/10.1063/1.1329672openalex-extracted
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
inferredcites →https://doi.org/10.1063/1.2404663openalex-extracted
Influence of the exchange screening parameter on the performance of screened hybrid functionals
inferredcites →https://doi.org/10.1063/1.3382344openalex-extracted
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
inferredcites →https://doi.org/10.1063/1.480097openalex-extracted
A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
inferredcites →https://doi.org/10.1088/0957-4484/27/33/335702openalex-extracted
Vibrational and mechanical properties of single layer MXene structures: a first-principles investigation
inferredcites →https://doi.org/10.1088/2515-7655/ab9fe3openalex-extracted
A systematical ab-initio review of promising 2D MXene monolayers towards Li-ion battery applications
inferredcites →https://doi.org/10.1088/2516-1075/aafc4bopenalex-extracted
Can we rely on hybrid-DFT energies of solid-state problems with local-DFT geometries?
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-extracted
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-extracted
Projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-extracted
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-extracted
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/physrevmaterials.4.054003openalex-extracted
MXenes atomic layer stacking phase transitions and their chemical activity consequences
inferredcites →https://doi.org/10.1103/physrevmaterials.6.024004openalex-extracted
Structural and energetic properties of vacancy defects in MXene surfaces
inferredcites →https://doi.org/10.1111/jace.14559openalex-extracted
Influence of ordered carbon‐vacancy networks on the electronic structures and elastic properties of Nb 4 AlC 3− x
inferredcites →https://doi.org/10.12693/aphyspola.133.789openalex-extracted
Presence of Oxygen in Ti-Al-C MAX Phases-Based Materials and their Stability in Oxidizing Environment at Elevated Temperatures
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