Are ionic liquids suitable media for boron nitride exfoliation and dispersion? Insight via molecular dynamics

被引：39
|
作者：
Kamath, Ganesh [1 ]
Baker, Gary A. [1 ]
机构：
[1] Univ Missouri, Dept Chem, Columbia, MO 65211 USA
来源：
RSC ADVANCES | 2013年 / 3卷 / 22期
关键词：
GRAPHENE; SIMULATIONS; SURFACE; ENERGY;
D O I：
10.1039/c3ra40488a
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The free energies of exfoliation and dispersion for hexagonal boron nitride (h-BN) monolayers from a model h-BN bilayer calculated using adaptive bias force-molecular dynamics (ABF-MD) simulations advocate the use of ionic liquids (ILs) in the liquid exfoliation of h-BN to yield individually stabilized (isolated) nanosheets. These calculations should tantalize experimentalists and open up avenues for exploring the IL exfoliation and dispersion of BN and other layered materials, such as the metal chalcogenides.
引用
收藏
页码：8197 / 8202
页数：6
相关论文
共 50 条
  • [1] In silico rational design of ionic liquids for the exfoliation and dispersion of boron nitride nanosheets
    Garcia, Gregorio
    Atilhan, Mert
    Aparicio, Santiago
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (02) : 1212 - 1224
  • [2] Hexagonal boron nitride exfoliation and dispersion
    Martinez-Jimenez, Cecilia
    Chow, Alina
    McWilliams, Ashleigh D. Smith
    Marti, Angel A.
    NANOSCALE, 2023, 15 (42) : 16836 - 16873
  • [3] An insight into structure and stability of DNA in ionic liquids via molecular dynamics simulation
    Jumbri, K.
    Rahman, M. B. Abdul
    Malek, E. Abdul
    Ahmad, H.
    Micaelo, N. M.
    EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, 2017, 46 : S362 - S362
  • [4] Molecular dynamics studies on the exfoliation of graphene in room temperature ionic liquids
    Biswas, Rima
    JOURNAL OF MOLECULAR LIQUIDS, 2021, 337
  • [5] Exfoliation of graphene and fluorographene in molecular and ionic liquids
    Bordes, Emilie
    Szala-Bilnik, Joanna
    Padua, Agilio A. H.
    FARADAY DISCUSSIONS, 2018, 206 : 61 - 75
  • [6] Are Ionic Liquids Suitable Media for Organocatalytic Reactions?
    Toma, Stefan
    Meciarova, Maria
    Sebesta, Radovan
    EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2009, 2009 (03) : 321 - 327
  • [7] Preparation of boron nitride and polystyrene/boron nitride composite particles by dehydrogenation in ionic liquids
    Kinoshit, K.
    Matsunag, N.
    Hiraoka, M.
    Yanagimoto, H.
    Minami, H.
    RSC ADVANCES, 2014, 4 (17) : 8605 - 8611
  • [8] Construction of graphitic carbon nitride nanosheets via an improved solvent exfoliation strategy and interfacial mechanics insight from molecular dynamics simulations
    Xiuyang Zou
    Yijiang Zhao
    Meisheng Li
    Shouyong Zhou
    Chenglung Chen
    Journal of Porous Materials, 2021, 28 : 943 - 954
  • [9] Exfoliation and dispersion of boron nitride nanosheets to enhance ordinary Portland cement paste
    Wang, Wei
    Chen, Shu Jian
    de Souza, Felipe Basquiroto
    Wu, Bailin
    Duan, Wen Hui
    NANOSCALE, 2018, 10 (03) : 1004 - 1014
  • [10] Construction of graphitic carbon nitride nanosheets via an improved solvent exfoliation strategy and interfacial mechanics insight from molecular dynamics simulations
    Zou, Xiuyang
    Zhao, Yijiang
    Li, Meisheng
    Zhou, Shouyong
    Chen, Chenglung
    JOURNAL OF POROUS MATERIALS, 2021, 28 (03) : 943 - 954
12345