4.6 Article

Theoretical Insights into MXene Termination and Surface Charge Regulation

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Nanoscience & Nanotechnology

Solving Gravimetric-Volumetric Capacitive Paradox of 2D Materials through Dual-Functional Chemical Bonding-Induced Self-Constructing Graphene-MXene Monoliths

Marwa Moatasim et al.

Summary: The study successfully constructed novel NH2-graphene and Ti3C2Tx MXene composites through dual-functional induced selfassembly, improving the performance of the electrodes. The composite materials showed enhanced performance in both volumetric and gravimetric properties, and the energy density of supercapacitors based on monolithic NG@MX was significantly increased.

ACS APPLIED MATERIALS & INTERFACES (2021)

Article Chemistry, Physical

Surface Functionalization of 2D MXenes: Trends in Distribution, Composition, and Electronic Properties

Rina Ibragimova et al.

Summary: This study explores the distribution and composition of surface functional groups on different MXenes using a multiscale computational approach. It shows that mixtures of functional groups are favorable on all studied MXene surfaces and that the distribution of functional groups is largely independent of the type of metal, carbon, or nitrogen species and/or number of atomic layers in the MXene. Some properties strongly depend on surface composition, while others exhibit only weak dependence.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2021)

Editorial Material Chemistry, Multidisciplinary

MXenes: Two-Dimensional Building Blocks for Future Materials and Devices

Yury Gogotsi et al.

ACS NANO (2021)

Article Chemistry, Physical

2D titanium and vanadium carbide MXene heterostructures for electrochemical energy storage

Armin VahidMohammadi et al.

Summary: Two-dimensional heterostructured electrodes, constructed from stacking different 2D materials vertically, show high volumetric capacitance and stable electrochemical performance. The assembly of Ti3C2Tx and V2CTx in liquid phase without binders allows for consistent current throughout the potential window due to the coupling of redox reactions between the two materials.

ENERGY STORAGE MATERIALS (2021)

Article Chemistry, Physical

Tailoring Ti3CNTx MXene via an acid molecular scissor

Ningjun Chen et al.

Summary: This study demonstrates the use of an acid molecular scissor to tailor Ti3CNTx MXene at the atomic scale, resulting in enhanced redox-active sites, improved specific capacitance, and electrochemical performance. The tailored Ti3CNTx MXene was further assembled into a micro-supercapacitor with high volumetric capacitance and energy density. This work offers a new strategy for enhancing MXenes for various applications including energy storage.

NANO ENERGY (2021)

Article Chemistry, Physical

High-voltage asymmetric MXene-based on-chip micro-supercapacitors

Yanting Xie et al.

NANO ENERGY (2020)

Article Multidisciplinary Sciences

Covalent surface modifications and superconductivity of two-dimensional metal carbide MXenes

Vladislav Kamysbayev et al.

SCIENCE (2020)

Article Chemistry, Multidisciplinary

Modeling Surface Charge Regulation of Colloidal Particles in Aqueous Solutions

Gary M. C. Ong et al.

LANGMUIR (2020)

Article Nanoscience & Nanotechnology

Computational Discovery and Design of MXenes for Energy Applications: Status, Successes, and Opportunities

Cheng Zhan et al.

ACS APPLIED MATERIALS & INTERFACES (2019)

Editorial Material Chemistry, Multidisciplinary

The Rise of MXenes

Yury Gogotsi et al.

ACS NANO (2019)

Article Chemistry, Physical

Computational Screening of MXene Electrodes for Pseudocapacitive Energy Storage

Cheng Zhan et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2019)

Article Nanoscience & Nanotechnology

Electrocatalytic and Optoelectronic Characteristics of the Two-Dimensional Titanium Nitride Ti4N3Tx MXene

Abdoulaye Djire et al.

ACS APPLIED MATERIALS & INTERFACES (2019)

Article Nanoscience & Nanotechnology

Pseudocapacitive Storage in Nanolayered Ti2NTx MXene Using Mg-Ion Electrolyte

Abdoulaye Djire et al.

ACS APPLIED NANO MATERIALS (2019)

Article Chemistry, Physical

Understanding the MXene Pseudocapacitance

Cheng Zhan et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)

Article Chemistry, Physical

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

Ravishankar Sundararaman et al.

JOURNAL OF CHEMICAL PHYSICS (2017)

Article Chemistry, Multidisciplinary

Atomic Defects in Monolayer Titanium Carbide (Ti3C2Tx) MXene

Xiahan Sang et al.

ACS NANO (2016)

Article Chemistry, Physical

Predicted Surface Composition and Thermodynamic Stability of MXenes in Solution

Michael Ashton et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

Article Chemistry, Physical

Boosting the Performance of Ionic-Liquid-Based Supercapacitors with Polar Additives

Kun Liu et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

Article Physics, Condensed Matter

Shells of charge: a density functional theory for charged hard spheres

Roland Roth et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2016)

Article Chemistry, Physical

The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model

Ravishankar Sundararaman et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Probing the Mechanism of High Capacitance in 2D Titanium Carbide Using In Situ X-Ray Absorption Spectroscopy

Maria R. Lukatskaya et al.

ADVANCED ENERGY MATERIALS (2015)

Article Materials Science, Multidisciplinary

Pseudopotentials for high-throughput DFT calculations

Kevin F. Garrity et al.

COMPUTATIONAL MATERIALS SCIENCE (2014)

Article Chemistry, Physical

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

Kiran Mathew et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Multidisciplinary

Novel Electronic and Magnetic Properties of Two-Dimensional Transition Metal Carbides and Nitrides

Mohammad Khazaei et al.

ADVANCED FUNCTIONAL MATERIALS (2013)

Article Chemistry, Multidisciplinary

New Two-Dimensional Niobium and Vanadium Carbides as Promising Materials for Li-Ion Batteries

Michael Naguib et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)

Article Chemistry, Multidisciplinary

Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2

Michael Naguib et al.

ADVANCED MATERIALS (2011)

Article Chemistry, Physical

Local atomic structure and conduction mechanism of nanocrystalline hydrous RuO2 from X-ray scattering

W Dmowski et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2002)