Journal ArticleDOI
Boosting electrocatalytic oxygen evolution by synergistically coupling layered double hydroxide with MXene
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TLDR
In this paper, a new type of non-precious metal electrocatalyst for OER by synergistically coupling layered double hydroxides (LDH) with two-dimensional (2D) MXene with high conductivity and active surface was reported.About:
This article is published in Nano Energy.The article was published on 2018-02-01. It has received 412 citations till now. The article focuses on the topics: Electrocatalyst & Overpotential.read more
Citations
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Applications of 2D MXenes in energy conversion and storage systems
Jinbo Pang,Rafael G. Mendes,Rafael G. Mendes,Alicja Bachmatiuk,Alicja Bachmatiuk,Alicja Bachmatiuk,Liang Zhao,Huy Q. Ta,Thomas Gemming,Hong Liu,Hong Liu,Zhongfan Liu,Zhongfan Liu,Mark H. Rümmeli,Mark H. Rümmeli,Mark H. Rümmeli +15 more
TL;DR: The potential of MXenes for the photocatalytic degradation of organic pollutants in water, such as dye waste, is addressed, along with their promise as catalysts for ammonium synthesis from nitrogen.
Journal ArticleDOI
Nanomaterials: a review of synthesis methods, properties, recent progress, and challenges
TL;DR: Nanomaterials have emerged as an amazing class of materials that consists of a broad spectrum of examples with at least one dimension in the range of 1 to 100 nm as discussed by the authors.
Journal ArticleDOI
Surface and Heterointerface Engineering of 2D MXenes and Their Nanocomposites: Insights into Electro- and Photocatalysis
TL;DR: In this paper, a review of 2D transition metal transition metal carbides, nitrides, and carbonitrides (MXenes) is presented, highlighting the expeditious advances and achievements in design strategies, physico-chemical properties, and catalytic applications of two-dimensional layered MXenes and their nanocomposites.
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Two-dimensional MXenes: From morphological to optical, electric, and magnetic properties and applications
Xiantao Jiang,Artem V. Kuklin,Alexander Baev,Yanqi Ge,Hans Ågren,Hans Ågren,Han Zhang,Paras N. Prasad +7 more
TL;DR: In this article, the state-of-the-art progress on MXene theory, materials synthesis techniques, morphology modifications, opto-electro-magnetic properties, and their applications are comprehensively discussed.
References
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Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
Georg Kresse,Jürgen Furthmüller +1 more
TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
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From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse,Daniel P. Joubert +1 more
TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
TL;DR: The revised DFT-D method is proposed as a general tool for the computation of the dispersion energy in molecules and solids of any kind with DFT and related (low-cost) electronic structure methods for large systems.
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Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
Sergei L. Dudarev,Gianluigi A. Botton,Sergey Y. Savrasov,Colin J. Humphreys,Adrian P. Sutton +4 more
TL;DR: In this article, the authors improved the description of both electron energy loss spectra and parameters characterizing the structural stability of the material compared with local spin density functional theory by taking better account of electron correlations in the $3d$ shell of metal ions in nickel oxide.