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This content will become publicly available on February 20, 2019

Title: Effect of glycine functionalization of 2D titanium carbide (MXene) on charge storage

Restacking of two-dimensional (2D) flakes reduces the accessibility of electrolyte ions and is a problem in energy storage and other applications. Organic molecules can be used to prevent restacking and keep the interlayer space open. In this paper, we report on a combined theoretical and experimental investigation of the interaction between 2D titanium carbide (MXene), Ti 3C 2T x, and glycine. From first principle calculations, we presented the functionalization of glycine on the Ti 3C 2O 2 surface, evidenced by the shared electrons between Ti and N atoms. To experimentally validate our predictions, we synthesized flexible freestanding films of Ti 3C 2T x/glycine hybrids. X-ray diffraction and X-ray photoelectron spectroscopy confirmed the increased interlayer spacing and possible Ti–N bonding, respectively, which agree with our theoretical predictions. Finally, the Ti 3C 2T x/glycine hybrid films exhibited an improved rate and cycling performances compared to pristine Ti 3C 2T x, possibly due to better charge percolation within expanded Ti 3C 2T x.
Authors:
 [1] ; ORCiD logo [2] ;  [2] ; ORCiD logo [2] ;  [3] ; ORCiD logo [3] ; ORCiD logo [2]
  1. Drexel Univ., Philadelphia, PA (United States). A.J. Drexel Nanomaterials Inst.; Huazhong Univ. of Science and Technology, Wuhan (China). School of Optical and Electronic Information
  2. Drexel Univ., Philadelphia, PA (United States). A.J. Drexel Nanomaterials Inst.
  3. Huazhong Univ. of Science and Technology, Wuhan (China). School of Optical and Electronic Information
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Journal of Materials Chemistry. A
Additional Journal Information:
Journal Volume: 6; Journal Issue: 11; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry
Research Org:
Drexel Univ., Philadelphia, PA (United States); Huazhong Univ. of Science and Technology, Wuhan (China)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Chinese Scholarship Council (CSC)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1435210