Results 161 to 170 of about 991,760 (293)

Learning radical excited states from sparse data. [PDF]

Chem Sci
Shen J, Walker LE, Ma K, Green JD, Bronstein H, Butler KT, Hele TJH.   +6 more
europepmc   +1 more source

Cathodic Cage Plasma Deposition of Nanostructured Cu–Fe–Se Coatings on Poly(methyl Methacrylate)

Advanced Engineering Materials, EarlyView.
Nanostructured Cu–Fe–Se coatings are deposited on PMMA by a modified cathodic cage plasma process, enabling low‐temperature deposition on polymer substrates. A transition from discontinuous to compact morphology is observed with temperature, with optimal properties at 200°C, where improved CuFeSe2‐type bonding, lowest sheet resistance, and favorable ...
V. S. S. Sobrinho, M. Naeem, T. H. C. Costa, M. S. Libório, J. C. A. Queiroz, C. B. B. Luna, R. R. M. Sousa, P. S. Vieira, E. M. Araújo   +8 more
wiley   +1 more source

Two-Photon Absorption and Dynamics of Excited States in Bromochalcone Derivatives. [PDF]

J Phys Chem A
Marucci NB, Valverde JVP, Campos GO, Ducas ESA, Gonçalves PJ, De Boni L, Mendonça CR.   +6 more
europepmc   +1 more source

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

Toward a Balanced Description of Ground and Excited States with Transcorrelated F12 Methods. [PDF]

J Chem Theory Comput
Masteran C, Gaudel B, Valeev EF.
europepmc   +1 more source

Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films

Advanced Functional Materials, EarlyView.
The Y6 molecule is used for increasing the efficiency of organic solar cells. The exciton binding energy is calculated for ensembles of Y6 molecules that are representative of the typically used films. The calculations show that the excitons typically spread out over many molecules.
Sahar Javaid Akram, Sophie Meißner, Stephan Kümmel   +2 more
wiley   +1 more source

BN/BO Doping of peri-Acenoacenes: Modulating Excited States in Trapeziumene Congeners. [PDF]

Angew Chem Int Ed Engl
Poletto D, Marongiu M, Hernández-Castillo D, Ferreira RR, Crosta M, Mondal PK, González L, Bonifazi D.   +7 more
europepmc   +1 more source

Photoswitchable Conductive Metal–Organic Frameworks

Advanced Functional Materials, EarlyView.
A conductive material where the conductivity can be modulated remotely by irradiation with light is presented. It is based on films of conductive metal–organic framework type Cu3(HHTP)2 with embedded photochromic molecules such as azobenzene, diarylethene, spiropyran, and hexaarylbiimidazole in the pores.
Yidong Liu, Mersad Mostaghimi, Abhinav Chandresh, Saibal Jana, Wolfgang Wenzel, Lars Heinke   +5 more
wiley   +1 more source

Highly-destabilized ligand field excited states of iron carbene complexes and their relation to charge transfer state lifetimes. [PDF]

Chem Sci
Hooper RX, Poulter BI, Schwarz J, Barakat M, Kunnus K, Nelson KJ, Ilic A, García-Mateos C, Chowdhury R, Uhlig J, Wärnmark K, Jakubikova E, Cordones AA, Gaffney KJ.   +13 more
europepmc   +1 more source

Intermolecular Interactions as Driving Force of Increasing Multiphoton Absorption in a Perylene Diimide‐Based Coordination Polymer

Advanced Functional Materials, EarlyView.
This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger, Anna Mauri, Yang Cui, Sebastian Josef Weishäupl, Ali Deniz Özdemir, Hamad Syed, Aleksandr Ovsianikov, Wolfgang Wenzel, Alexander Pöthig, Jürgen Hauer, Mariana Kozlowska, Roland Augustinus Fischer   +11 more
wiley   +1 more source