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Title: Origami inspired Three-Dimensional Interconnected Molybdenum Carbide Nanoflakes

Abstract

High-temperature stable transition metal carbides are one of the promising classes of materials for next-generation energy applications such as water splitting catalysis and electrodes for energy storage devices. Herein, origami-like molybdenum carbide flakes with interfacially connected structures in various orientations using an easily scalable chemical vapor deposition method are synthesized. Interestingly, each individual flake of similar orientation is interconnected across different planes. The interconnected architectures are found to be highly elastic and behave in a sponge-like manner. In addition, the surface energy of each plane is calculated using the first-principle density functional theory. The molybdenum carbide shows excellent activity for the hydrogen evolution reaction, with the onset over potential occurring around -16 to -25 mV with high stability. The material is used as an electrode for supercapacitors as a second demonstration. The supercapacitor constructed with polypyrrole reaches the specific capacitance of ≈279 F g -1 at a current density of 0.5 A g -1.

Authors:
ORCiD logo [1];  [2];  [3];  [4];  [3];  [2];  [4];  [2];  [3];  [2];  [2]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Rice Univ., Houston, TX (United States). Dept. of materials Science and NanoEngineering
  3. Indian Inst. of Science, Bangalore (India). Materials Research Center
  4. Federal Univ. of Minas Gerais, Belo Horizonte, Minas Gerais (Brazil). Dept. de Química
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
US Air Force Office of Scientific Research (AFOSR); USDOD; USDOE
OSTI Identifier:
1469542
Report Number(s):
LA-UR-17-27486
Journal ID: ISSN 2196-7350
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
Advanced Materials Interfaces
Additional Journal Information:
Journal Volume: 5; Journal Issue: 6; Journal ID: ISSN 2196-7350
Publisher:
Wiley-VCH
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Carbide; Water Splitting; energy storage; mechanical; origami-like nanostructure; 3D architecture; density functional theory; hydrogen evolution reactions; molybdenum carbide; supercapacitors

Citation Formats

Ozden, Sehmus, Koizumi, Ryota, Samanat, Atanu, Alves, Ana Paula P., Mishra, Avanish, Ye, Gonglan, Silva, Glaura G., Vajtai, Robert, Singh, Abhishek K., Tiwary, Chandra S., and Ajayan, Pulickel M. Origami inspired Three-Dimensional Interconnected Molybdenum Carbide Nanoflakes. United States: N. p., 2018. Web. doi:10.1002/admi.201701113.
Ozden, Sehmus, Koizumi, Ryota, Samanat, Atanu, Alves, Ana Paula P., Mishra, Avanish, Ye, Gonglan, Silva, Glaura G., Vajtai, Robert, Singh, Abhishek K., Tiwary, Chandra S., & Ajayan, Pulickel M. Origami inspired Three-Dimensional Interconnected Molybdenum Carbide Nanoflakes. United States. doi:10.1002/admi.201701113.
Ozden, Sehmus, Koizumi, Ryota, Samanat, Atanu, Alves, Ana Paula P., Mishra, Avanish, Ye, Gonglan, Silva, Glaura G., Vajtai, Robert, Singh, Abhishek K., Tiwary, Chandra S., and Ajayan, Pulickel M. Fri . "Origami inspired Three-Dimensional Interconnected Molybdenum Carbide Nanoflakes". United States. doi:10.1002/admi.201701113. https://www.osti.gov/servlets/purl/1469542.
@article{osti_1469542,
title = {Origami inspired Three-Dimensional Interconnected Molybdenum Carbide Nanoflakes},
author = {Ozden, Sehmus and Koizumi, Ryota and Samanat, Atanu and Alves, Ana Paula P. and Mishra, Avanish and Ye, Gonglan and Silva, Glaura G. and Vajtai, Robert and Singh, Abhishek K. and Tiwary, Chandra S. and Ajayan, Pulickel M.},
abstractNote = {High-temperature stable transition metal carbides are one of the promising classes of materials for next-generation energy applications such as water splitting catalysis and electrodes for energy storage devices. Herein, origami-like molybdenum carbide flakes with interfacially connected structures in various orientations using an easily scalable chemical vapor deposition method are synthesized. Interestingly, each individual flake of similar orientation is interconnected across different planes. The interconnected architectures are found to be highly elastic and behave in a sponge-like manner. In addition, the surface energy of each plane is calculated using the first-principle density functional theory. The molybdenum carbide shows excellent activity for the hydrogen evolution reaction, with the onset over potential occurring around -16 to -25 mV with high stability. The material is used as an electrode for supercapacitors as a second demonstration. The supercapacitor constructed with polypyrrole reaches the specific capacitance of ≈279 F g-1 at a current density of 0.5 A g-1.},
doi = {10.1002/admi.201701113},
journal = {Advanced Materials Interfaces},
number = 6,
volume = 5,
place = {United States},
year = {2018},
month = {3}
}

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Projector augmented-wave method
journal, December 1994


MoS2 Nanoparticles Grown on Graphene An Advanced Catalyst for the Hydrogen Evolution Reaction
journal, May 2011

  • Li, Yanguang; Wang, Hailiang; Xie, Liming
  • Journal of the American Chemical Society, Vol. 133, Issue 19, p. 7296-7299
  • DOI: 10.1021/ja201269b

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996