27 citations · 66 across the 5 of their papers we have counts for
9 papers
First-principles analysis of the optical properties of lead halide perovskite solution precursors
Giovanni Procida, Richard Schier, Ana M. Valencia +1
Lead halide perovskites (LHPs) are promising materials for opto-electronics and photovoltaics, thanks to favorable characteristics and low manufacturing costs enabled by solution p…
Formation of lead halide perovskite precursors in solution: Insight from electronic-structure theory
Richard Schier, Alejandro Conesa Rodriguez, Ana M. Valencia +1
Understanding the formation of lead halide (LH) perovskite solution precursors is crucial to gain insight into the evolution of these materials to thin films for solar cells. Using…
Exploring organic semiconductors in solution: The effects of solvation, alkylization, and doping
Jannis Krumland, Ana M. Valencia, Caterina Cocchi
The first-principles simulation of the electronic structure of organic semiconductors in solution poses a number of challenges that are not trivial to address simultaneously. In th…
Optical Fingerprints of Polynuclear Complexes in Lead-Halide Perovskite Precursor Solutions
Ana M. Valencia, Oleksandra Shargaieva, Richard Schier +2
Solvent-solute interactions in precursor solutions of lead halide perovskites (LHP) critically impact the quality of solution-processed materials, as they lead to the formation of…
In situ functionalization of graphene
Kyrylo Greben, Sviatoslav Kovalchuk, Ana M. Valencia +7
While the basal plane of graphene is inert, defects in it are centers of chemical activity. An attractive application of such defects is towards controlled functionalization of gra…
Microscopic Insight into the Electronic Structure of BCF-Doped Oligothiophenes from \textit{Ab initio} Many-Body Theory
Richard Schier, Ana M. Valencia, Caterina Cocchi
Lewis acids like tris(pentafluorophenyl)borane (BCF) offer promising routes for efficient -doping of organic semiconductors. The intriguing experimental results achieved so far…