First-Principles Microkinetic Model for Ammonia Synthesis on Fe(110) under Nonequilibrium Programmable Heating and Quenching Operation

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Kurdziel, Sophia [Princeton Plasma Physics Laboratory, Princeton, New Jersey, United States, 08540] (ORCID:0000000332336804), Sun, Zijian [Princeton Plasma Physics Laboratory, Princeton, New Jersey, United States, 08540; Princeton University, Princeton, New Jersey, United States, 08544] (ORCID:0009000456927726), Chang, Ziqiao [Princeton University, Princeton, New Jersey, United States, 08544] (ORCID:0000000342019714), Liu, Fangyuan [Yale University, New Haven, Connecticut, United States, 06511], Hu, Liangbing [Yale University, New Haven, Connecticut, United States, 06511] (ORCID:0000000294569315), Ju, Yiguang [Princeton Plasma Physics Laboratory, Princeton, New Jersey, United States, 08540; Princeton University, Princeton, New Jersey, United States, 08544] (ORCID:0000000256562075), Carter, Emily A. [Princeton Plasma Physics Laboratory, Princeton, New Jersey, United States, 08540; Princeton University, Princeton, New Jersey, United States, 08544; Princeton University, Princeton, New Jersey, United States, 08544] (ORCID:0000000173307554), Martirez, John Mark P. [Princeton Plasma Physics Laboratory, Princeton, New Jersey, United States, 08540] (ORCID:0000000305666605). 2026-09-05. First-Principles Microkinetic Model for Ammonia Synthesis on Fe(110) under Nonequilibrium Programmable Heating and Quenching Operation. https://doi.org/10.1021/acscatal.6c03929

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