Personality in Science
Nanotechnologies
R&D Projects
News Of Science
Engineering
International Research & Education
Science & Technology Articles
MRC.ORG.UA

MRC SCIENCE AND TECHNOLOGY
R&D PROJECTS PERSONALITY IN SCIENCE International research and education Methods of testing and research Standardization and Certification NANOTECHNOLOGY NEW ENERGY SCIENCE AND TECHNOLOGY ARTICLES


MRC ENGINEERING AND MANUFACTURING
ABOUT US PRODUCTS DESIGN PRODUCTION GALLERY VIDEO ARTICLES PARTNERS VACANCIES SITEMAP

Follow us:



JOURNAL "DOM"
NEWS OF SCIENCE NEWS OF ENGINEERING

Role of Surface Structure on Li-ion Energy Storage Capacity of 2d Transition Metal Carbides


Role of Surface Structure on Li-ion Energy Storage Capacity of Two-dimensional Transition Metal Carbides

Yu Xie , Michael Naguib , Vadym N. Mochalin , Michel W. Barsoum , Yury Gogotsi , Xiqian Yu , Kyung-Wan Nam , Xiao-Qing Yang , Alexander I. Kolesnikov , and Paul R. C. Kent
J. Am. Chem. Soc., Just Accepted Manuscript
DOI: 10.1021/ja501520b
Publication Date (Web): March 28, 2014
Copyright © 2014 American Chemical Society

Abstract

A combination of density functional theory (DFT) calculations and experiments are used to shed light on the relation between surface structure and Li-ion storage capacities of the following functionalized two-dimensional (2D) transition metal carbides, or MXenes: Sc2C, Ti2C, Ti3C2, V2C, Cr2C, and Nb2C. The Li-ion storage capacities are found to strongly depend on the nature of the surface functional groups, with O groups exhibiting the highest theoretical Li-ion storage capacities. MXene surfaces can be initially covered with OH groups, removable by high temperature treatment or by reactions in the first lithiation cycle. This was verified by annealing f-Nb2C and f-Ti3C2 at 673 K and 773 K in vacuum for 40 h and in situ x-ray adsorption spectroscopy (XAS) and Li capacity measurements for the first lithiation/delithiation cycle of f-Ti3C2. The high temperature removal of water and OH was confirmed using x-ray diffraction and inelastic neutron scattering. The voltage profile and x-ray adsorption near edge structure of f-Ti3C2 revealed surface reactions in the first lithiation cycle.

Moreover, lithiated oxygen terminated MXenes surfaces are able to adsorb additional Li beyond a monolayer, providing a mechanism to substantially increase capacity, as observed mainly in delaminated MXenes and confirmed by DFT calculations and XAS. The calculated Li diffusion barriers are low, indicative of the measured high-rate performance. We predict Cr2C to possess high Li capacity due to the low activation energy of water formation at high temperature, while Sc2C is predicted to potentially display low Li capacity due to increased reaction barriers for OH removal.

Source: www.mrc.org.ua

 
< Ïðåä.   Ñëåä. >

MRC ltd. / Kiev MATERIALS RESEARCH CENTRE    
www.dom.ua    

Science
26.08.2017 02:57
Drexel researchers have developed a recipe for self batteries
MXene
Researchers described a process by which nanodiamonds — tiny diamond particles 10,000 times smaller than the diameter of a hair — curtail the electrochemical deposition, called plating, that can lead to hazardous short-circuiting of lithium ion batteries...
 
04.06.2017 23:47
Professor Yury Gogotsi was speaking about nanotechnology in energy storage at the World Science Fest
MXene
Join world-class nanoscientists and environmental leaders to explore how the capacity to harness molecules and atoms is accelerating spectacular inventions — including light-weight “wonder materials,” vital energy-storage technologies, and new sources of renewable energy — which promise to redefine the very future of energy...
 
04.06.2017 23:39
MXenes discovered by prof. Yury Gogotsi are at the forefront of 2D materials research
MXene
It’s been just over five years since researchers in Drexel’s Department of Materials Science and Engineering reported on a new, two-dimensional material composed of titanium and carbon atoms, called MXene...
 
11.02.2017 18:56
MATERIAL WITNESSES — RESEARCHERS AROUND THE WORLD ARE DELVING INTO DREXEL’S 2D MXENE
MXene
It’s been just over five years since researchers in Drexel’s Department of Materials Science and Engineering reported on a new, two-dimensional material composed of titanium and carbon atoms, called MXene...
 
 Contact information
MRC Ltd. Materials research centre
Kiev, Krzhizhanovskogo, 3
Tel.: +38 (044) 233-24-43
Tel.: +38 (044) 237-71-87
Fax: +38 (044) 502-41-49
E-mail:
We work: Mon - Sat 10:00 - 18:00
Ëèöåíçèÿ Creative Commons

Photos of the projects implemented by MRC TM "ÄÎÌ", as well as articles and videos are published under the Creative Commons Attribution — with preservation of terms
(Attribution-ShareAlike) 3.0 Unported. You can freely copy, distribute, modify the materials with link to the author.

ßíäåêñ öèòèðîâàíèÿ  
name=Contacts face= 0.59