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Stability of adsorption of Mg and Na on sulfur-functionalized MXenes

https://doi.org/10.1039/d1cp03433b
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1007/s10853-016-0369-7openalex-snapshot
Facile synthesis SnO2 nanoparticle-modified Ti3C2 MXene nanocomposites for enhanced lithium storage application
inferredcites →https://doi.org/10.1016/0927-0256(96)00008-0openalex-snapshot
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
inferredcites →https://doi.org/10.1016/j.calphad.2008.12.005openalex-snapshot
Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit
inferredcites →https://doi.org/10.1016/j.cap.2019.11.025openalex-snapshot
The effect of S-functionalized and vacancies on V2C MXenes as anode materials for Na-ion and Li-ion batteries
inferredcites →https://doi.org/10.1016/j.cej.2017.12.155openalex-snapshot
Two-dimensional MXenes for energy storage
inferredcites →https://doi.org/10.1016/j.jpowsour.2020.227791openalex-snapshot
Achieving superior high-capacity batteries with the lightest Ti2C MXene anode by first-principles calculations: Overarching role of S-functionate (Ti 2CS2) and multivalent cations carrier
inferredcites →https://doi.org/10.1016/j.trechm.2020.04.010openalex-snapshot
MXenes as High-Rate Electrodes for Energy Storage
inferredcites →https://doi.org/10.1016/s0364-5916(02)80006-2openalex-snapshot
The alloy theoretic automated toolkit: A user guide
inferredcites →https://doi.org/10.1021/acs.jpcc.0c05287openalex-snapshot
Assessment of Sulfur-Functionalized MXenes for Li-Ion Battery Applications
inferredcites →https://doi.org/10.1021/acsaem.8b01801openalex-snapshot
Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules
inferredcites →https://doi.org/10.1021/acsami.1c05508openalex-snapshot
Comprehensive Study of Lithium Adsorption and Diffusion on Janus Mo/WXY (X, Y = S, Se, Te) Using First-Principles and Machine Learning Approaches
inferredcites →https://doi.org/10.1021/acsami.6b04198openalex-snapshot
Two-Dimensional Titanium Carbide MXene As a Cathode Material for Hybrid Magnesium/Lithium-Ion Batteries
inferredcites →https://doi.org/10.1021/ar00109a003openalex-snapshot
Atoms in molecules
inferredcites →https://doi.org/10.1021/ja308463ropenalex-snapshot
Are MXenes Promising Anode Materials for Li Ion Batteries? Computational Studies on Electronic Properties and Li Storage Capability of Ti 3 C 2 and Ti 3 C 2 X 2 (X = F, OH) Monolayer
inferredcites →https://doi.org/10.1021/nn503921jopenalex-snapshot
Prediction and Characterization of MXene Nanosheet Anodes for Non-Lithium-Ion Batteries
inferredcites →https://doi.org/10.1038/natrevmats.2016.98openalex-snapshot
2D metal carbides and nitrides (MXenes) for energy storage
inferredcites →https://doi.org/10.1039/c8nr01550copenalex-snapshot
A nanoporous MXene film enables flexible supercapacitors with high energy storage
inferredcites →https://doi.org/10.1039/c8ta02627kopenalex-snapshot
Boron–graphdiyne: a superstretchable semiconductor with low thermal conductivity and ultrahigh capacity for Li, Na and Ca ion storage
inferredcites →https://doi.org/10.1063/1.1323224openalex-snapshot
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-snapshot
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
inferredcites →https://doi.org/10.1063/1.328693openalex-snapshot
Polymorphic transitions in single crystals: A new molecular dynamics method
inferredcites →https://doi.org/10.1063/1.3382344openalex-snapshot
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
inferredcites →https://doi.org/10.1103/physrevb.47.558openalex-snapshot
Ab initio molecular dynamics for liquid metals
inferredcites →https://doi.org/10.1103/physrevb.49.14251openalex-snapshot
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot
Projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevb.59.1758openalex-snapshot
From ultrasoft pseudopotentials to the projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevlett.115.036402openalex-snapshot
Strongly Constrained and Appropriately Normed Semilocal Density Functional
inferredcites →https://doi.org/10.1103/physrevlett.45.1196openalex-snapshot
Crystal Structure and Pair Potentials: A Molecular-Dynamics Study
inferredcites →https://doi.org/10.1103/physrevlett.65.353openalex-snapshot
Special quasirandom structures
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1361/105497102770331596openalex-snapshot
Automating first-principles phase diagram calculations

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4671099openalex-extracted
Adsorption of Methane Molecule on Hf2co2: A Dft Study
inferred← citeshttps://doi.org/10.1002/smll.202311869openalex-snapshot
Tuning the Surface Stability and Li/Na Storage of MXenes by Controlling the Surface Termination Coverage
inferred← citeshttps://doi.org/10.1007/s10853-025-11834-1openalex-snapshot
First-principles calculations unveil the surface chemistry of two-dimensional SnN3 monolayer for enhanced sodium-ion battery performance
inferred← citeshttps://doi.org/10.1016/j.commatsci.2025.114068openalex-snapshot
Exploring the potential of 2D Sc2NX2 MXene as an anode material for metal-ion (Li+, Na+, Mg2+, and Ca2+) batteries: A DFT study
inferred← citeshttps://doi.org/10.1016/j.jpcs.2022.110713openalex-snapshot
Mg-ion diffusion on the surface of Ti3C2S2 MXene
inferred← citeshttps://doi.org/10.1016/j.jpowsour.2025.239027openalex-snapshot
Double-transition metal MXenes for energy storage and conversion applications
inferred← citeshttps://doi.org/10.1016/j.mtchem.2025.102864openalex-snapshot
Surface engineering of M5X4 MXenes for next-gen energy solutions
inferred← citeshttps://doi.org/10.1016/j.nxmate.2026.103237openalex-snapshot
Exploring organic and inorganic materials in the removal of metal ions: Insights from experimental and computational studies
inferred← citeshttps://doi.org/10.1016/j.surfin.2025.108083openalex-snapshot
Chlorine-terminated MBene anodes for high-performance Na+/Mg2+-ion batteries
inferred← citeshttps://doi.org/10.1021/acs.jpcc.1c09770openalex-snapshot
O- and S-Terminated M2C MXenes as Anode Materials for Na/K-Ion Batteries
inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c02129openalex-snapshot
Fluorine-Terminated MXene as an Anode Material for Dual-Ion(Ca2+/Mg2+) Batteries with Rapid Diffusion Mobility
inferred← citeshttps://doi.org/10.1038/s41524-022-00885-6openalex-snapshot
High-throughput design of functional-engineered MXene transistors with low-resistive contacts
inferred← citeshttps://doi.org/10.1038/s41524-023-01129-xopenalex-snapshot
Realizing unipolar and bipolar intrinsic skyrmions in MXenes from high-fidelity first-principles calculations
inferred← citeshttps://doi.org/10.1039/d3ra03340fopenalex-snapshot
First-principles study on the structure and electronic properties of M 2 CS x (M = Sc, Ti, Y, Zr and Hf, x = 1, 2)
inferred← citeshttps://doi.org/10.1039/d4cp03358bopenalex-snapshot
2D Co-anti-MXenes (CoB/CoP) as promising anode materials for magnesium-ion batteries in diglyme and triglyme electrolytes: a first-principles study
inferred← citeshttps://doi.org/10.1039/d5ma00779hopenalex-snapshot
Revealing the anodic performance of Janus Mxenes (ABN, A = Sc; B = Zr, Nb, Mo) for magnesium-ion batteries: a first-principles study
inferred← citeshttps://doi.org/10.1080/00268976.2024.2329218openalex-snapshot
Transition-metal-doped Hf 2 CO 2 as a promising sensor for methane: a DFT study
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