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Title: Assembling Si 2 BN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance

Abstract

A porous 3D-Si 2 BN structure is assembled from the nanoribbons of a 2D monolayer Si 2 BN sheet, and is meta-stable energetically while being stable chemically, dynamically and thermally, exhibiting high theoretical capacity and low energy barriers for both Li and Na ions.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [2]; ORCiD logo [3]; ORCiD logo [4]
  1. Department of Materials Science and Engineering, Peking University, Beijing 100871, China
  2. Center for Advancing Materials Performance from the Nanoscale, State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an 710049, China
  3. Department of Materials Science and Engineering, Peking University, Beijing 100871, China, Center for Applied Physics and Technology
  4. Department of Physics, Virginia Commonwealth University, Richmond, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1664461
Grant/Contract Number:  
FG02-96ER45579
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Nanoscale
Additional Journal Information:
Journal Name: Nanoscale Journal Volume: 12 Journal Issue: 37; Journal ID: ISSN 2040-3364
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Younis, Umer, Muhammad, Imran, Wu, Wei, Ahmed, S., Sun, Qiang, and Jena, Puru. Assembling Si 2 BN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance. United Kingdom: N. p., 2020. Web. doi:10.1039/D0NR05143H.
Younis, Umer, Muhammad, Imran, Wu, Wei, Ahmed, S., Sun, Qiang, & Jena, Puru. Assembling Si 2 BN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance. United Kingdom. doi:10.1039/D0NR05143H.
Younis, Umer, Muhammad, Imran, Wu, Wei, Ahmed, S., Sun, Qiang, and Jena, Puru. Thu . "Assembling Si 2 BN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance". United Kingdom. doi:10.1039/D0NR05143H.
@article{osti_1664461,
title = {Assembling Si 2 BN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance},
author = {Younis, Umer and Muhammad, Imran and Wu, Wei and Ahmed, S. and Sun, Qiang and Jena, Puru},
abstractNote = {A porous 3D-Si 2 BN structure is assembled from the nanoribbons of a 2D monolayer Si 2 BN sheet, and is meta-stable energetically while being stable chemically, dynamically and thermally, exhibiting high theoretical capacity and low energy barriers for both Li and Na ions.},
doi = {10.1039/D0NR05143H},
journal = {Nanoscale},
number = 37,
volume = 12,
place = {United Kingdom},
year = {2020},
month = {10}
}

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Works referenced in this record:

Nano-sized transition-metal oxides as negative-electrode materials for lithium-ion batteries
journal, September 2000

  • Poizot, P.; Laruelle, S.; Grugeon, S.
  • Nature, Vol. 407, Issue 6803, p. 496-499
  • DOI: 10.1038/35035045

OpenMP in VASP: Threading and SIMD
journal, December 2018

  • Wende, Florian; Marsman, Martijn; Kim, Jeongnim
  • International Journal of Quantum Chemistry, Vol. 119, Issue 12
  • DOI: 10.1002/qua.25851

Tetragonal C 24 : a topological nodal-surface semimetal with potential as an anode material for sodium ion batteries
journal, January 2019

  • Qie, Yu; Liu, Junyi; Wang, Shuo
  • Journal of Materials Chemistry A, Vol. 7, Issue 10
  • DOI: 10.1039/C8TA11276B

Lanthanum-catalysed synthesis of microporous 3D graphene-like carbons in a zeolite template
journal, June 2016

  • Kim, Kyoungsoo; Lee, Taekyoung; Kwon, Yonghyun
  • Nature, Vol. 535, Issue 7610
  • DOI: 10.1038/nature18284

Silicene for Na-ion battery applications
journal, August 2016


Issues and challenges facing rechargeable lithium batteries
journal, November 2001

  • Tarascon, J.-M.; Armand, M.
  • Nature, Vol. 414, Issue 6861, p. 359-367
  • DOI: 10.1038/35104644

Converting Layered Zinc Acetate Nanobelts to One-dimensional Structured ZnO Nanoparticle Aggregates and their Photocatalytic Activity
journal, June 2008


All-Solid Lithium Electrodes with Mixed-Conductor Matrix
journal, January 1981

  • Boukamp, B. A.
  • Journal of The Electrochemical Society, Vol. 128, Issue 4
  • DOI: 10.1149/1.2127495

Graphdiyne‐Based Monolayers as Promising Anchoring Materials for Lithium–Sulfur Batteries: A Theoretical Study
journal, January 2020

  • Muhammad, Imran; Younis, Umer; Xie, Huanhuan
  • Advanced Theory and Simulations, Vol. 3, Issue 3
  • DOI: 10.1002/adts.201900236

Transition‐Metal Phosphorus Trisulfides and its Vacancy Defects: Emergence of a New Class of Anode Material for Li‐Ion Batteries
journal, June 2020


Achieving ultrahigh carrier mobilities and opening the band gap in two-dimensional Si 2 BN
journal, January 2018

  • Singh, Deobrat; Gupta, Sanjeev K.; Sonvane, Yogesh
  • Physical Chemistry Chemical Physics, Vol. 20, Issue 33
  • DOI: 10.1039/C8CP03617A

Colossal Reversible Volume Changes in Lithium Alloys
journal, January 2001

  • Beaulieu, L. Y.; Eberman, K. W.; Turner, R. L.
  • Electrochemical and Solid-State Letters, Vol. 4, Issue 9
  • DOI: 10.1149/1.1388178

A Comparative First-Principles Study on Sodiation of Silicon, Germanium, and Tin for Sodium-Ion Batteries
journal, June 2015

  • Chou, Chia-Yun; Lee, Myungsuk; Hwang, Gyeong S.
  • The Journal of Physical Chemistry C, Vol. 119, Issue 27
  • DOI: 10.1021/acs.jpcc.5b01099

Topochemical Transformations of CaX 2 (X=C, Si, Ge) to Form Free-Standing Two-Dimensional Materials
journal, November 2015

  • Pratik, Saied Md.; Nijamudheen, A.; Datta, Ayan
  • Chemistry - A European Journal, Vol. 21, Issue 50
  • DOI: 10.1002/chem.201503375

Adsorption and diffusion of mono, di, and trivalent ions on two-dimensional TiS 2
journal, March 2017


Capping Black Phosphorene by h-BN Enhances Performances in Anodes for Li and Na Ion Batteries
journal, June 2016


High-performance lithium battery anodes using silicon nanowires
journal, December 2007

  • Chan, Candace K.; Peng, Hailin; Liu, Gao
  • Nature Nanotechnology, Vol. 3, Issue 1, p. 31-35
  • DOI: 10.1038/nnano.2007.411

Topological semimetal porous carbon as a high-performance anode for Li-ion batteries
journal, January 2019

  • Xie, Huanhuan; Qie, Yu; Imran, Muhammad
  • Journal of Materials Chemistry A, Vol. 7, Issue 23
  • DOI: 10.1039/C9TA03587G

Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H 2 + Cu(111) and H 2 + Ag(111)
journal, May 2019

  • Smeets, Egidius W. F.; Voss, Johannes; Kroes, Geert-Jan
  • The Journal of Physical Chemistry A, Vol. 123, Issue 25
  • DOI: 10.1021/acs.jpca.9b02914

First principles phonon calculations in materials science
journal, November 2015


Ror2 signaling regulates Golgi structure and transport through IFT20 for tumor invasiveness
journal, January 2017


Scalable chemical-vapour-deposition growth of three-dimensional graphene materials towards energy-related applications
journal, January 2018

  • Chen, Ke; Shi, Liurong; Zhang, Yanfeng
  • Chemical Society Reviews, Vol. 47, Issue 9
  • DOI: 10.1039/C7CS00852J

Tuning the Properties of Tetracene‐Based Nanoribbons by Fluorination and N‐Doping
journal, September 2019

  • Younis, Umer; Muhammad, Imran; Kawazoe, Yoshiyuki
  • ChemPhysChem, Vol. 20, Issue 21
  • DOI: 10.1002/cphc.201900803

First-principles study on the two-dimensional siligene (2D SiGe) as an anode material of an alkali metal ion battery
journal, July 2019


Lithium batteries: Status, prospects and future
journal, May 2010


The curious case of two dimensional Si2BN: A high-capacity battery anode material
journal, November 2017


Three Dimensional Carbon-Nanotube Polymers
journal, August 2011

  • Zhao, Zhisheng; Xu, Bo; Wang, Li-Min
  • ACS Nano, Vol. 5, Issue 9
  • DOI: 10.1021/nn202053t

Two-Dimensional Group IV Monochalcogenides: Anode Materials for Li-Ion Batteries
journal, June 2016

  • Karmakar, Sharmistha; Chowdhury, Chandra; Datta, Ayan
  • The Journal of Physical Chemistry C, Vol. 120, Issue 27
  • DOI: 10.1021/acs.jpcc.6b04152

Structures and Chemical Properties of Silicene: Unlike Graphene
journal, November 2013

  • Jose, Deepthi; Datta, Ayan
  • Accounts of Chemical Research, Vol. 47, Issue 2
  • DOI: 10.1021/ar400180e

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

  • Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672

Direct Band Gap Silicon Allotropes
journal, July 2014

  • Wang, Qianqian; Xu, Bo; Sun, Jian
  • Journal of the American Chemical Society, Vol. 136, Issue 28
  • DOI: 10.1021/ja5035792

Ti 3 C 2 MXene as a High Capacity Electrode Material for Metal (Li, Na, K, Ca) Ion Batteries
journal, June 2014

  • Er, Dequan; Li, Junwen; Naguib, Michael
  • ACS Applied Materials & Interfaces, Vol. 6, Issue 14
  • DOI: 10.1021/am501144q

Design of tetracene-based metallic 2D carbon materials for Na- and K-Ion batteries
journal, August 2020


Composite of graphite/phosphorus as anode for lithium-ion batteries
journal, September 2015


Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
journal, December 2000

  • Henkelman, Graeme; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22
  • DOI: 10.1063/1.1323224

Cohesive, structural, and electronic properties of Fe-Si compounds
journal, May 1999


A mini review on two-dimensional nanomaterial assembly
journal, November 2019


Porous Doped Silicon Nanowires for Lithium Ion Battery Anode with Long Cycle Life
journal, April 2012

  • Ge, Mingyuan; Rong, Jiepeng; Fang, Xin
  • Nano Letters, Vol. 12, Issue 5
  • DOI: 10.1021/nl300206e

Carbon Honeycomb High Capacity Storage for Gaseous and Liquid Species
journal, February 2016


Hybrid functional investigations of band gaps and band alignments for AlN, GaN, InN, and InGaN
journal, February 2011

  • Moses, Poul Georg; Miao, Maosheng; Yan, Qimin
  • The Journal of Chemical Physics, Vol. 134, Issue 8
  • DOI: 10.1063/1.3548872

Exploring Hydrogenation and Fluorination in Curved 2D Carbon Systems: A Density Functional Theory Study on Corannulene
journal, August 2012

  • dos Santos, Renato B.; Rivelino, Roberto; de B. Mota, Fernando
  • The Journal of Physical Chemistry A, Vol. 116, Issue 36
  • DOI: 10.1021/jp3049636

Synthesis of an open-framework allotrope of silicon
journal, November 2014

  • Kim, Duck Young; Stefanoski, Stevce; Kurakevych, Oleksandr O.
  • Nature Materials, Vol. 14, Issue 2
  • DOI: 10.1038/nmat4140