Zobrazeno 1 - 10
of 68
pro vyhledávání: '"Julien Guthmuller"'
Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
Publikováno v:
ACS Omega, Vol 5, Iss 41, Pp 26946-26953 (2020)
Externí odkaz:
https://doaj.org/article/7a5ce8f98bc14ac69f4810285893216f
Autor:
Daniel Costabel, Afshin Nabiyan, Avinash Chettri, Franz Jacobi, Magdalena Heiland, Julien Guthmuller, Stephan Kupfer, Maria Wächtler, Benjamin Dietzek-Ivanšić, Carsten Streb, Felix H. Schacher, Kalina Peneva
Publikováno v:
ACS Applied Materials & Interfaces. 15:20833-20842
Autor:
Ruben Arturo Arellano‐Reyes, Amrutha Prabhakaran, Rengel Cane E. Sia, Julien Guthmuller, Keshav Kumar Jha, Tingxiang Yang, Benjamin Dietzek‐Ivanšić, Vickie McKee, Tia E. Keyes
Publikováno v:
Chemistry – A European Journal. 29
Publikováno v:
ChemPhysChem. 20:3228-3237
An experimental and theoretical investigation is reported to analyze the relation between the structural and absorption properties of CH3NH3PbI3 in the tetragonal phase. More than 3000 geometry optimizations were performed to reveal the structural di
Autor:
Julien Guthmuller
Publikováno v:
The Journal of chemical physics. 155(8)
The sum-over-state expressions are derived to calculate the second-order Herzberg–Teller (HT) effects in absorption and resonance Raman spectroscopies. These effects depend on the second derivatives of the transition dipole moment with respect to t
Publikováno v:
The Journal of Physical Chemistry C. 123:16003-16013
The light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus ...
Publikováno v:
Physical Chemistry Chemical Physics. 21:9052-9060
Time dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurr
Publikováno v:
Physical Chemistry Chemical Physics
The radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (L
Publikováno v:
European Journal of Inorganic Chemistry. 2016:4958-4963
A set of RuII complexes incorporating triazole subunits are presented. They show a solvent-dependent light-switch effect. Theoretical calculations revealed the excited states involved in the emission process. The findings are highly important for fut
Autor:
Miłosz, Martynow, Damian, Głowienka, Jędrzej, Szmytkowski, Yulia, Galagan, Julien, Guthmuller
Publikováno v:
Chemphyschem : a European journal of chemical physics and physical chemistry. 20(23)
An experimental and theoretical investigation is reported to analyze the relation between the structural and absorption properties of CH