机译:以第一性原理为模型的Ru基催化剂上的氨合成和分解
Haldor Topsoe A/S, Nymollevej 55, DK-2800 Lyngby, Denmark;
Center for Atomic-Scale Materials Design, Department of Physics. NanoDTU, Technical University of Denmark, Building 307, DK-2800 Lyngby, Denmark;
Center for Atomic-Scale Materials Design, Department of Physics. NanoDTU, Technical University of Denmark, Building 307, DK-2800 Lyngby, Denmark;
Center for Atomic-Scale Materials Design, Department of Physics. NanoDTU, Technical University of Denmark, Building 307, DK-2800 Lyngby, Denmark;
Haldor Topsoe A/S, Nymollevej 55, DK-2800 Lyngby, Denmark;
Haldor Topsoe A/S, Nymollevej 55, DK-2800 Lyngby, Denmark;
Center for Sustainable and Green Chemistry, Department of Chemistry, NanoDTU, Technical University of Denmark, DK-2800 Lyngby, Denmark;
Center for Atomic-Scale Materials Design, Department of Physics. NanoDTU, Technical University of Denmark, Building 307, DK-2800 Lyngby, Denmark;
density functional theory; monte carlo simulations; catalysis; surface chemical reaction; ruthenium; NH_3 sunthesis;
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机译:基于第一性原理模拟的Ru基催化剂上的氨合成和分解