activity
20172026
most citedElectronic Structure of Cesium-based Photocathode Materials from Density Functional Theory: Performance of PBE, SCAN, and HSE06 functionals

77 citations · 715 across the 63 of their papers we have counts for

collaborators
Showing 2020Show all

8 papers · 1 filter

cond-mat.mtrl-sci2020★ 15 cited

Electronic and Optical Properties of Protonated Triazine Derivatives

Michele Guerrini, Enrique Delgado Aznar, Caterina Cocchi

The peculiar electronic and optical properties of covalent organic frameworks (COFs) are largely determined by protonation, a ubiquitous phenomenon in the solution environment in w…

cond-mat.mtrl-sci2020★ 27 cited

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…

cond-mat.mes-hall2020

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…

cond-mat.mtrl-sci2020★ 8 cited

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…

cond-mat.mtrl-sci2020★ 21 cited

MoTe2 as a natural hyperbolic material across the visible and the ultraviolet region

Saeideh Edalati-Boostan, Caterina Cocchi, Claudia Draxl

Hyperbolic materials are of particular interest for the next generation of photonic and optoelectronic devices. Since artificial metamaterials are intrinsically limited by the size…

cond-mat.mtrl-sci2020★ 20 cited

Structural, electronic, and optical properties of periodic graphene/h-BN van der Waals heterostructures

Wahib Aggoune, Caterina Cocchi, Dmitrii Nabok +3

The emerging interest in van der Waals heterostructures as new materials for opto-electronics and photonics poses questions about their stability and structure-property relations.…