First-Principles Design of Highly Active and Selective Catalysts for Phosgene-Free Synthesis of Aromatic Polyurethanes

被引:35
|
作者
Laursen, Siris [1 ]
Combita, Diego [1 ]
Hungria, Ana B. [2 ]
Boronat, Mercedes [1 ]
Corma, Avelino [1 ]
机构
[1] Univ Politecn Valencia, Inst Tecnol Quim, Consejo Super Invest Cient, Valencia 46022, Spain
[2] Univ Cadiz, Dept Ciencia Mat & Ingn Met & Quim Inorgan, Cadiz 11510, Spain
关键词
carbamoylation; crystal shape; density functional calculations; green chemistry; nanocrystals; SHAPE;
D O I
10.1002/anie.201108849
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:4190 / 4193
页数:4
相关论文
共 50 条
  • [31] Highly selective nitrogen dioxide gas sensing of ReS2 nanosheets: A first-principles study
    Zhou, Qi
    Luo, Sifan
    Xue, Wei
    Liao, Ningbo
    APPLIED SURFACE SCIENCE, 2023, 609
  • [32] Catalytically active centres in porous oxides: design and performance of highly selective new catalysts
    Thomas, JM
    Raja, R
    CHEMICAL COMMUNICATIONS, 2001, (08) : 675 - 687
  • [33] First-principles computational study of highly stable and active ternary PtCuNi nanocatalyst for oxygen reduction reaction
    Noh, Seung Hyo
    Han, Byungchan
    Ohsaka, Takeo
    NANO RESEARCH, 2015, 8 (10) : 3394 - 3403
  • [34] Highly Selective and Active Niobia-Supported Cobalt Catalysts for Fischer–Tropsch Synthesis
    Jan H. den Otter
    Krijn P. de Jong
    Topics in Catalysis, 2014, 57 : 445 - 450
  • [35] First-principles computational study of highly stable and active ternary PtCuNi nanocatalyst for oxygen reduction reaction
    Seung Hyo Noh
    Byungchan Han
    Takeo Ohsaka
    Nano Research, 2015, 8 : 3394 - 3403
  • [36] First-Principles Design of Graphene-Based Active Catalysts for Oxygen Reduction and Evolution Reactions in the Aprotic Li-O2 Battery
    Kang, Joonhee
    Yu, Jong-Sung
    Han, Byungchan
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2016, 7 (14): : 2803 - 2808
  • [37] Phosgene-free synthesis of N-aryl-N′-(4-pyridinyl)ureas via selenium-catalyzed oxidative carbonylation of 4-aminopyridine with aromatic amines
    Zhang, Xiaopeng
    Li, Zhengwei
    Wang, Yan
    Dong, Shuxiang
    Niu, Xueli
    Zhang, Guisheng
    ARKIVOC, 2016, : 197 - 209
  • [38] Green synthesis and first-principles calculations of a highly efficient antibacterial agent: CuO/Ag nanocomposites
    Baqir, Yadullah
    Tunio, Muhammad Tariq
    Ilyas, Syed Zafar
    Agathopoulos, Simeon
    Mufti, Hareem
    Jalil, Abdul
    Hassan, Ather
    CHEMICAL PAPERS, 2023, 77 (05) : 2459 - 2467
  • [39] Green synthesis and first-principles calculations of a highly efficient antibacterial agent: CuO/Ag nanocomposites
    Yadullah Baqir
    Muhammad Tariq Tunio
    Syed Zafar Ilyas
    Simeon Agathopoulos
    Hareem Mufti
    Abdul Jalil
    Ather Hassan
    Chemical Papers, 2023, 77 : 2459 - 2467
  • [40] First-principles design of heavy-atom-free singlet oxygen photosensitizers for photodynamic therapy
    Pal, Arun K.
    Datta, Ayan
    JOURNAL OF CHEMICAL PHYSICS, 2024, 160 (16):