title: Rational design and synthesis of a porous, task-specific polycarbazole for efficient CO2 capture.
abstract: We present a rational design and synthesis of a novel porous pyridine-functionalized polycarbazole for efficient CO2 capture based on the density functional theory calculations. The task-specific polymer, generated through a one-step FeCl3-catalyzed oxidative coupling reaction, exhibits a superior CO2 uptake at 1.0 bar and 273 K (5.57 mmol g(-1)).
authors: State Key Laboratory of Chemical Engineering and Department of Chemistry, East China University of Science and Technology, Shanghai, 200237, P. R. China. hlliu@ecust.edu.cn.
authors: Tian
authors: T
authors: Jin
authors: State Key Laboratory of Chemical Engineering and Department of Chemistry, East China University of Science and Technology, Shanghai, 200237, P. R. China. hlliu@ecust.edu.cn.
authors: Yan
authors: Y
authors: Xiong
authors: Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996-1600, USA. xiang@utk.edu zhuxiang.ecust@gmail.com dais@ornl.gov.
authors: Xiang
authors: X
authors: Zhu
authors: Department of Chemistry, University of California, Riverside, CA 92521, USA.
authors: Ziqi
authors: Z
authors: Tian
authors: Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996-1600, USA. xiang@utk.edu zhuxiang.ecust@gmail.com dais@ornl.gov.
authors: Duan-Jian
authors: DJ
authors: Tao
authors: State Key Laboratory of Chemical Engineering and Department of Chemistry, East China University of Science and Technology, Shanghai, 200237, P. R. China. hlliu@ecust.edu.cn.
authors: Jun
authors: J
authors: Hu
authors: Department of Chemistry, University of California, Riverside, CA 92521, USA.
authors: De-en
authors: DE
authors: Jiang
authors: State Environmental Protection Key Laboratory of Environmental Risk Assessment and Control on Chemical Process, East China University of Science and Technology, Shanghai 200237, China.
authors: Hualin
authors: H
authors: Wang
authors: State Key Laboratory of Chemical Engineering and Department of Chemistry, East China University of Science and Technology, Shanghai, 200237, P. R. China. hlliu@ecust.edu.cn.
authors: Honglai
authors: H
authors: Liu
authors: Department of Chemistry, The University of Tennessee, Knoxville, Tennessee 37996-1600, USA. xiang@utk.edu zhuxiang.ecust@gmail.com dais@ornl.gov and Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6201, USA.
authors: Sheng
authors: S
authors: Dai