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Fuller, Jon, Fortunelli, Alessandro, Goddard III, William A., An, Qi (2019) Reaction mechanism and kinetics for ammonia synthesis on the Fe(211) reconstructed surface. Physical Chemistry Chemical Physics, 21 (21). 11444-11454 doi:10.1039/c9cp01611b

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Reference TypeJournal (article/letter/editorial)
TitleReaction mechanism and kinetics for ammonia synthesis on the Fe(211) reconstructed surface
JournalPhysical Chemistry Chemical Physics
AuthorsFuller, JonAuthor
Fortunelli, AlessandroAuthor
Goddard III, William A.Author
An, QiAuthor
Year2019Volume21
Issue21
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c9cp01611bSearch in ResearchGate
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Mindat Ref. ID4036692Long-form Identifiermindat:1:5:4036692:4
GUID0
Full ReferenceFuller, Jon, Fortunelli, Alessandro, Goddard III, William A., An, Qi (2019) Reaction mechanism and kinetics for ammonia synthesis on the Fe(211) reconstructed surface. Physical Chemistry Chemical Physics, 21 (21). 11444-11454 doi:10.1039/c9cp01611b
Plain TextFuller, Jon, Fortunelli, Alessandro, Goddard III, William A., An, Qi (2019) Reaction mechanism and kinetics for ammonia synthesis on the Fe(211) reconstructed surface. Physical Chemistry Chemical Physics, 21 (21). 11444-11454 doi:10.1039/c9cp01611b
In(2019) Physical Chemistry Chemical Physics Vol. 21 (21) Royal Society of Chemistry (RSC)

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Fuller, Jon, Fortunelli, Alessandro, Goddard, William A., An, Qi (2020) Discovery of Dramatically Improved Ammonia Synthesis Catalysts through Hierarchical High-Throughput Catalyst Screening of the Fe(211) Surface. Chemistry of Materials, 32 (23) 9914-9924 doi:10.1021/acs.chemmater.0c02701
Qian, Jin, An, Qi, Fortunelli, Alessandro, Nielsen, Robert J., Goddard, William A. (2018) Reaction Mechanism and Kinetics for Ammonia Synthesis on the Fe(111) Surface. Journal Of The American Chemical Society, 140 (20) 6288-6297 doi:10.1021/jacs.7b13409
Qian, Jin, Fortunelli, Alessandro, Goddard, William A. (2019) Effect of Co doping on mechanism and kinetics of ammonia synthesis on Fe(1 1 1) surface. Journal of Catalysis, 370. 364-371 doi:10.1016/j.jcat.2019.01.001
Mcdonald, Molly, Fuller, Jon, Fortunelli, Alessandro, Goddard, William A., An, Qi (2019) Highly Efficient Ni-Doped Iron Catalyst for Ammonia Synthesis from Quantum-Mechanics-Based Hierarchical High-Throughput Catalyst Screening. The Journal of Physical Chemistry C, 123 (28). 17375-17383 doi:10.1021/acs.jpcc.9b04386
Fuller, Jon, Fortunelli, Alessandro, Goddard, William A., An, Qi (2021) Vibrational Spectroscopy Signatures of Catalytically Relevant Configurations for N2 Reduction to NH3 on Fe Surfaces via Density Functional Theory. The Journal of Physical Chemistry C, 125 (51) 27919-27930 doi:10.1021/acs.jpcc.1c08829
An, Qi, Mcdonald, Molly, Fortunelli, Alessandro, Goddard, William A. (2020) Si-Doped Fe Catalyst for Ammonia Synthesis at Dramatically Decreased Pressures and Temperatures. Journal of the American Chemical Society, 142 (18) 8223-8232 doi:10.1021/jacs.9b13996
An, Qi, Shen, Yidi, Fortunelli, Alessandro, Goddard, William A. (2018) QM-Mechanism-Based Hierarchical High-Throughput in Silico Screening Catalyst Design for Ammonia Synthesis. Journal Of The American Chemical Society, 140 (50) 17702-17710 doi:10.1021/jacs.8b10499
Rehman, Faisal, Kwon, Soonho, Hossain, Md Delowar, Musgrave III, Charles B., Goddard III, William A., Luo, Zhengtang (2022) Reaction mechanism and kinetics for N2 reduction to ammonia on the Fe–Ru based dual-atom catalyst. Journal of Materials Chemistry A, 10 (43) 23323-23331 doi:10.1039/d2ta06826e
An, Qi, Qian, Jin, Nielsen, Robert R., Sementa, Luca, Barcaro, Giovanni, Negreiros, Fabio R., Fortunelli, Alessandro, Goddard III, William A. (2016) The quantum mechanics derived atomistic mechanism underlying the acceleration of catalytic CO oxidation on Pt(110) by surface acoustic waves. Journal of Materials Chemistry A, 4. 12036-12045 doi:10.1039/c6ta03669d
Shen, Yidi; Sementa, Luca; Johnson, Duane D.; Fortunelli, Alessandro; An, Qi; Goddard, William A. (2025) Revolutionizing Ammonia Synthesis: FeCoNiAlSi High-Entropy Alloy Catalyst for Low-Pressure, Low-Temperature Applications. Journal of the American Chemical Society, 147 (17). doi:10.1021/jacs.5c00606
Barcaro, Giovanni, Fortunelli, Alessandro (2019) 2D oxides on metal materials: concepts, status, and perspectives. Physical Chemistry Chemical Physics, 21 (22). 11510-11536 doi:10.1039/c9cp00972h
 
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