Digital Discovery Platform for Organic Electronics Materials

Información del proyecto

DiaDEM

Identificador del acuerdo de subvención: 101057564

DOI

10.3030/101057564

Proyecto cerrado

Fecha de la firma de la CE 17 Marzo 2022

Fecha de inicio 1 Mayo 2022

Fecha de finalización 30 Abril 2025

Financiado con arreglo a

• The European Innovation Council (EIC)

Coste total

€ 1 294 000,00

Aportación de la UE

€ 1 294 000,00

Coordinado por

MCULE.COM KFT
Hungary

CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.

Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .

Resultado final

Other (1)

First version of user front-end implementation

First version of user frontend implementation (software), tested with an example use-case (M18) as detailed in Task 1.3.

Websites, patent fillings, videos etc. (2)

Early communication material (web, poster, social media)

A consistent early communication material across all platforms web presentations social media is prepared as described in Task 54

Demonstration and Video for investors and customers

A professionally edited video introduction to the product for the benefit of customers and investor as described in Task 5.4.

Publicaciones

Peer reviewed articles (10)

High-Throughput Screening of Molecule/Polymer Photocatalysts for the Hydrogen Evolution Reaction

Autores: Lei Shi, Alessandro Troisi
Publicado en: ACS Catalysis, Edición 15, 2025, ISSN 2155-5435
Editor: American Chemical Society (ACS)
DOI: 10.1021/ACSCATAL.5C01785

Using Dopants as Agents to Probe Key Electronic Properties of Organic Semiconductors

Autores: Artem Fediai, Franz Symalla, Tobias Neumann, Wolfgang Wenzel
Publicado en: Advanced Electronic Materials, 2025, ISSN 2199-160X
Editor: Wiley
DOI: 10.1002/AELM.202400988

The Importance of High-Frequency Modes in the Prediction of RISC Rates for TADF Molecules

Autores: Teodoro Pizza, Amedeo Capobianco, Alessandro Troisi
Publicado en: The Journal of Physical Chemistry Letters, Edición 16, 2025, ISSN 1948-7185
Editor: American Chemical Society (ACS)
DOI: 10.1021/ACS.JPCLETT.5C00176

Organic super-reducing photocatalysts generate solvated electrons <i>via</i> two consecutive photon induced processes

Autores: Marco Villa, Andrea Fermi, Francesco Calogero, Xia Wu, Andrea Gualandi, Pier Giorgio Cozzi, Alessandro Troisi, Barbara Ventura, Paola Ceroni
Publicado en: Chemical Science, Edición 15, 2024, ISSN 2041-6520
Editor: Royal Society of Chemistry (RSC)
DOI: 10.1039/D4SC04518A

Identification via Virtual Screening of Emissive Molecules with a Small Exciton-Vibration Coupling for High Color Purity and Potential Large Exciton Delocalization

Autores: Xiaoyu Xie, Alessandro Troisi
Publicado en: J. Phys. Chem. Lett., Edición 14, 17, 4119–4126, 2023, ISSN 1948-7185
Editor: American Chemical Society
DOI: 10.1021/acs.jpclett.3c00749

Intuitive and Efficient Approach to Determine the Band Structure of Covalent Organic Frameworks from Their Chemical Constituents

Autores: Changchun Ding, Xiaoyu Xie, Linjiang Chen, Alessandro Troisi
Publicado en: Journal of Chemical Theory and Computation, Edición 20, 2024, ISSN 1549-9618
Editor: American Chemical Society (ACS)
DOI: 10.1021/ACS.JCTC.3C01302

Rapid calculation of internal conversion and intersystem crossing rate for organic materials discovery

Autores: Lei Shi, Xiaoyu Xie, Alessandro Troisi
Publicado en: J. Chem. Phys., Edición 157 (13), 134106, 2022, ISSN 1089-7690
Editor: AIP Publishing
DOI: 10.1063/5.0102857/

Identification of Unknown Inverted Singlet–Triplet Cores by High-Throughput Virtual Screening

Autores: Ömer H. Omar, Xiaoyu Xie, Alessandro Troisi, Daniele Padula
Publicado en: Journal of the American Chemical Society, Edición 145, 2023, ISSN 0002-7863
Editor: American Chemical Society (ACS)
DOI: 10.1021/JACS.3C05452

Calibration of several first excited state properties for organic molecules through systematic comparison of TDDFT with experimental spectra

Autores: Xia Wu, Xiaoyu Xie, Alessandro Troisi
Publicado en: Journal of Materials Chemistry C, Edición 12, 2024, ISSN 2050-7526
Editor: Royal Society of Chemistry (RSC)
DOI: 10.1039/D4TC03511A

Guidelines for Material Design in Semitransparent Organic Solar Cells

Autores: Karen Forberich, Alessandro Troisi, Chao Liu, Michael Wagner, Christoph J. Brabec, Hans‐Joachim Egelhaaf
Publicado en: Advanced Functional Materials, Edición 34, 2024, ISSN 1616-301X
Editor: Wiley
DOI: 10.1002/ADFM.202314116