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Page 1
Behavior of Methylammonium Dipoles in MAPbX3 (X = Br and I).
Govinda S, Kore BP, Bokdam M, Mahale P, Kumar A, Pal S, Bhattacharyya B, Lahnsteiner J, Kresse G, Franchini C, Pandey A, Sarma DD. Govinda S, et al. Among authors: franchini c. J Phys Chem Lett. 2017 Sep 7;8(17):4113-4121. doi: 10.1021/acs.jpclett.7b01740. Epub 2017 Aug 18. J Phys Chem Lett. 2017. PMID: 28812901 Free PMC article.
Polaronic hole trapping in doped BaBiO3.
Franchini C, Kresse G, Podloucky R. Franchini C, et al. Phys Rev Lett. 2009 Jun 26;102(25):256402. doi: 10.1103/PhysRevLett.102.256402. Epub 2009 Jun 23. Phys Rev Lett. 2009. PMID: 19659102
The random phase approximation applied to ice.
Macher M, Klimeš J, Franchini C, Kresse G. Macher M, et al. Among authors: franchini c. J Chem Phys. 2014 Feb 28;140(8):084502. doi: 10.1063/1.4865748. J Chem Phys. 2014. PMID: 24588180
Charge trapping at the step edges of TiO(2) anatase (101).
Setvin M, Hao X, Daniel B, Pavelec J, Novotny Z, Parkinson GS, Schmid M, Kresse G, Franchini C, Diebold U. Setvin M, et al. Among authors: franchini c. Angew Chem Int Ed Engl. 2014 Apr 25;53(18):4714-6. doi: 10.1002/anie.201309796. Epub 2014 Mar 26. Angew Chem Int Ed Engl. 2014. PMID: 24677419
Proton Ordering of Cubic Ice Ic: Spectroscopy and Computer Simulations.
Geiger P, Dellago C, Macher M, Franchini C, Kresse G, Bernard J, Stern JN, Loerting T. Geiger P, et al. Among authors: franchini c. J Phys Chem C Nanomater Interfaces. 2014 May 22;118(20):10989-10997. doi: 10.1021/jp500324x. Epub 2014 Apr 30. J Phys Chem C Nanomater Interfaces. 2014. PMID: 24883169 Free PMC article.
Direct view at excess electrons in TiO2 rutile and anatase.
Setvin M, Franchini C, Hao X, Schmid M, Janotti A, Kaltak M, Van de Walle CG, Kresse G, Diebold U. Setvin M, et al. Among authors: franchini c. Phys Rev Lett. 2014 Aug 22;113(8):086402. doi: 10.1103/PhysRevLett.113.086402. Epub 2014 Aug 18. Phys Rev Lett. 2014. PMID: 25192111
212 results