Anchoring effects of S-terminated Ti2C MXene for lithium-sulfur batteries: A first-principles study
- 14 October 2018
- journal article
- research article
- Published by Elsevier BV in Applied Surface Science
- Vol. 455, 522-526
- https://doi.org/10.1016/j.apsusc.2018.05.200
Abstract
No abstract availableKeywords
Funding Information
- National Natural Science Foundation of China (21433006, 11774201)
- 111 Project (B13029)
- Technological Development Program in Shandong Province Education Department (J14LJ03)
- Shandong University (2015HW012)
This publication has 26 references indexed in Scilit:
- Two‐Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2Advanced Materials, 2011
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-PuThe Journal of Chemical Physics, 2010
- Effects of Alloying on the Chemistry of CO and H2S on Fe SurfacesThe Journal of Physical Chemistry B, 2005
- From ultrasoft pseudopotentials to the projector augmented-wave methodPhysical Review B, 1999
- First-Principles Determination of the Soft Mode in CubicPhysical Review Letters, 1997
- Generalized Gradient Approximation Made SimplePhysical Review Letters, 1996
- Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis setPhysical Review B, 1996
- Ab initiomolecular dynamics for open-shell transition metalsPhysical Review B, 1993
- Ab initiomolecular dynamics for liquid metalsPhysical Review B, 1993
- Special points for Brillouin-zone integrationsPhysical Review B, 1976