Humboldt-Universität zu Berlin - Mathematisch-Naturwissenschaftliche Fakultät - SFB 1109

Publications in Project C02

[LP19]

X. Li, J. Paier

Partial Oxidation of Methanol on the Fe₃O₄(111) Surface Studied by Density Functional Theory

J. Phys. Chem. C 2019.

[ZMI18]

E. Zaki, F. Mirabella, F. Ivars-Barceló, J. Seifert, S. Carey, S. Shaikhutdinov, H.-J. Freund, X. Li, J. Paier, J. Sauer

Water Adsorption on the Fe₃O₄(111) Surface: Dissociation and Network Formation

Phys. Chem. Chem. Phys. 2018, 20, 15764-15774.

[MZI18]

F. Mirabella, E. Zaki, F. Ivars-Barceló, X. Li, J. Paier, J. Sauer, S. Shaikhutdinov, H.-J. Freund

Cooperative Formation of Long-Range Ordering in Water Ad-Layers on Fe₃O₄(111)

Angew. Chem. 2018, 130, 1423-1428; Angew. Chem. Int. Ed. 2018, 57, 1409-1413.

[LPS18]

X. Li, J. Paier, J. Sauer, F. Mirabella, E. Zaki, F. Ivars-Barceló, S. Shaikhutdinov, H.-J. Freund

Surface Termination of Fe₃O₄(111) Films Studied by CO Adsorption Revisited

J. Phys. Chem. B 2018, 122, 527-533.

[WWC17]

K. Werner, X. Weng, F. Calaza, M. Sterrer, T. Kropp, J. Paier, J. Sauer, M. Wilde, K. Fukutani, S. Shaikhutdinov, H.-J. Freund

Toward an Understanding of Selective Alkyne Hydrogenation on Ceria: On the Impact of O Vacancies on H₂ Interaction with CeO₂(111)

J. Am. Chem. Soc., 2017, 139, 17608-17616.

[KPS17b]

T. Kropp, J. Paier, J. Sauer

Oxidative Dehydrogenation of Methanol at Ceria-supported Vanadia Oligomers

J. Catal. 2017, 352, 382-387.

[KPS17a]

T. Kropp, J. Paier, J. Sauer

Interactions of Water with the (111) and (100) Surfaces of Ceria

J. Phys. Chem. C 2017, 121, 21571-21578.

[OVS16]

R. Ovcharenko, E. Voloshina, J. Sauer

Water adsorption and O-defect formation on Fe2O3(0001) surfaces

Phys. Chem. Chem. Phys. 2016, 18, 25560-25568.

[P16]

J. Paier

Hybrid Density Functionals Applied to Complex Solid Catalysts: Successes, Limitations, and Prospects

Catal. Lett. 2016, 146, 861-885.

[LP16]

X. Li, J. Paier

Adsorption of Water on the Fe₃O₄(111) Surface: Structures, Stabilities, and Vibrational Properties Studied by Density Functional Theory

J. Phys. Chem. C 2016, 120, 1056-1065.

[DDI15]

P. Dementyev, K.-H. Dostert, F. Ivars-Barceló, C. P. OBrien, F. Mirabella, S. Schauermann, X. Li, J. Paier, J. Sauer, H.-J. Freund

Water Interaction with Iron Oxides

Angew. Chem. 2015, 127, 14148-14152; Angew. Chem. Int. Ed. 2015, 54, 13942-13946.