Van der Waals density functional study of hydrocarbon adsorption and separation in metal–organic frameworks without open metal sites

被引:0
作者
Timothy Quainoo
Sydney N. Lavan
Zhen-Fei Liu
机构
[1] Wayne State University,Department of Chemistry
来源
Journal of Materials Research | 2022年 / 37卷
关键词
Metal–organic framework (MOF); Adsorption; Bonding; Computation/computing; Electronic structure; Van der Waals;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:334 / 345
页数:11
相关论文
共 50 条
  • [21] Adsorption study of 4-nitrophenol onto kaolinite (001) surface: A van der Waals density functional study
    Santana, E.
    Possa, R. D.
    Novais, A. L. F.
    Manzoni, V
    Novais, E. R. P.
    Martins, T. C.
    Gester, R.
    Andrade-Filho, T.
    MATERIALS CHEMISTRY AND PHYSICS, 2021, 271
  • [22] Catalytic activity of Rhn/MegO-nanotube for NO adsorption and dissociation: A van der waals density functional study
    Tian, Zhixue
    Zhao, Huiyan
    Li, Pan
    Ma, Qingmin
    Liu, Ying
    APPLIED SURFACE SCIENCE, 2020, 530
  • [23] Structure and gas adsorption study on metal organic frameworks
    Banerjee, Rahul
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2011, 67 : C360 - C360
  • [24] Density functional theoretical study of pentacene/noble metal interfaces with van der Waals corrections: Vacuum level shifts and electronic structures
    Toyoda, Kenji
    Hamada, Ikutaro
    Lee, Kyuho
    Yanagisawa, Susumu
    Morikawa, Yoshitada
    JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (13)
  • [25] Desulfurization by liquid phase adsorption: Role of exposed metal sites in metal-organic frameworks
    Wei, Kaiju
    Ni, Jia
    Cui, Yang
    Han, Haiyun
    Xie, Yineng
    Liu, Yangzhong
    JOURNAL OF MOLECULAR STRUCTURE, 2019, 1184 : 163 - 167
  • [26] Recent advances in metal-organic frameworks for gas adsorption/separation
    Jiang, Chuanhai
    Wang, Xiaokang
    Ouyang, Yuguo
    Lu, Kebin
    Jiang, Weifeng
    Xu, Huakai
    Wei, Xiaofei
    Wang, Zhifei
    Dai, Fangna
    Sun, Daofeng
    NANOSCALE ADVANCES, 2022, 4 (09): : 2077 - 2089
  • [27] Metal organic frameworks showing hydrocarbon adsorption properties commensurate with their pore structure
    Olson, David
    Lan, Anjian
    Seidel, Jonathan
    Li, Kunhao
    Li, Jing
    ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, 2010, 16 (06): : 559 - 565
  • [28] Understanding CO2 Dynamics in Metal-Organic Frameworks with Open Metal Sites
    Lin, Li-Chiang
    Kim, Jihan
    Kong, Xueqian
    Scott, Eric
    McDonald, Thomas M.
    Long, Jeffrey R.
    Reimer, Jeffrey A.
    Smit, Berend
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2013, 52 (16) : 4410 - 4413
  • [29] A van der Waals density functional study of chloroform and other trihalomethanes on graphene
    Akesson, Joel
    Sundborg, Oskar
    Wahlstrom, Olof
    Schroder, Elsebeth
    JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (17)
  • [30] Van der Waals interactions at metal/organic interfaces at the single-molecule level
    Aradhya, Sriharsha V.
    Frei, Michael
    Hybertsen, Mark S.
    Venkataraman, L.
    NATURE MATERIALS, 2012, 11 (10) : 872 - 876