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    Ammonia is an essential global chemical but its synthesis is energy intensive and pollutes the environment. This Focus issue highlights recent developments in green ammonia synthesis, as well as discussing the challenges which need to be overcome for the commercial production of green ammonia.

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    The combination of techniques such as machine learning, artificial intelligence, robotics and automation can be used to accelerate chemical and materials synthesis. This Focus issue showcases developments in the automation and digitalization of synthesis, as well as highlights the challenges to be overcome in this area.

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    Flow chemistry is an enabling technology which is used to tackle synthetic problems in both industrial and academic settings. This Focus issue showcases how flow technologies can provide reaction outcomes which are distinct from the corresponding batch processes and how they can be applied in synthesis.

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  • High-index facet nanostructures are deliberately targeted and synthesized by using a data-driven approach that integrates high-throughput density functional theory calculations, machine learning and experimental validation. The effectiveness of this approach is shown by the discovery and subsequent synthesis of seven monometallic and four multimetallic tetrahexahedron-shaped high-index facet nanoparticles.

    • Zihao Ye
    • Bo Shen
    • Chad A. Mirkin
    Article
  • The rational design and synthesis of dual-atom catalysts with structurally uniform and flexible active sites remains challenging. Now the tailored synthesis of a Janus Fe–Co dual-metal catalyst is reported in which the Fe and Co atoms are coordinated to N and O, respectively, and linked through bridging N and O atoms.

    • Bing Tang
    • Yanan Zhou
    • Wensheng Yan
    Article
  • An unstrained allylic C(sp3)–C(sp3) bond is transformed into a new C(sp3)–C(sp3) bond enantioselectively with palladium catalysts via kinetic resolution or dynamic kinetic asymmetric transformation (DYKAT). Mechanistic experiments and density functional theory calculations reveal that the deracemization needed for DYKAT occurs via the formation of diene intermediates.

    • Ye-Wei Chen
    • Yehao Qiu
    • Zhi-Tao He
    Article
  • Automated iterative small-molecule synthesis has generally been limited to around one carbon–carbon bond-forming step per day. Now, a next-generation automated synthesizer enables rapid, automated, iterative synthesis of a variety of small molecules. Improvements to chemistry and automation leads to a tenfold decrease in reaction time over previous automated platforms.

    • Wesley Wang
    • Nicholas H. Angello
    • Martin D. Burke
    Article
  • Electrochemical methods have great potential to help achieve net-zero emissions. Here, a method to synthesize ethylene carbonate is reported, which is electrochemically initiated and enables the concurrent production of hydrogen, capture of CO2 and subsequent conversion of the captured CO2 during ethylene carbonate synthesis.

    • Jun Ho Jang
    • Changsoo Kim
    • Ki Tae Nam
    Article