Digital Discovery Platform for Organic Electronics Materials

Project Information

DiaDEM

Grant agreement ID: 101057564

DOI

10.3030/101057564

Project closed

EC signature date 17 March 2022

Start date 1 May 2022

End date 30 April 2025

Funded under

• The European Innovation Council (EIC)

Total cost

€ 1 294 000,00

EU contribution

€ 1 294 000,00

Coordinated by

MCULE.COM KFT
Hungary

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

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.

Publications

Peer reviewed articles (10)

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

Author(s): Lei Shi, Alessandro Troisi
Published in: ACS Catalysis, Issue 15, 2025, ISSN 2155-5435
Publisher: American Chemical Society (ACS)
DOI: 10.1021/ACSCATAL.5C01785

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

Author(s): Artem Fediai, Franz Symalla, Tobias Neumann, Wolfgang Wenzel
Published in: Advanced Electronic Materials, 2025, ISSN 2199-160X
Publisher: Wiley
DOI: 10.1002/AELM.202400988

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

Author(s): Teodoro Pizza, Amedeo Capobianco, Alessandro Troisi
Published in: The Journal of Physical Chemistry Letters, Issue 16, 2025, ISSN 1948-7185
Publisher: 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

Author(s): Marco Villa, Andrea Fermi, Francesco Calogero, Xia Wu, Andrea Gualandi, Pier Giorgio Cozzi, Alessandro Troisi, Barbara Ventura, Paola Ceroni
Published in: Chemical Science, Issue 15, 2024, ISSN 2041-6520
Publisher: 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

Author(s): Xiaoyu Xie, Alessandro Troisi
Published in: J. Phys. Chem. Lett., Issue 14, 17, 4119–4126, 2023, ISSN 1948-7185
Publisher: 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

Author(s): Changchun Ding, Xiaoyu Xie, Linjiang Chen, Alessandro Troisi
Published in: Journal of Chemical Theory and Computation, Issue 20, 2024, ISSN 1549-9618
Publisher: American Chemical Society (ACS)
DOI: 10.1021/ACS.JCTC.3C01302

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

Author(s): Lei Shi, Xiaoyu Xie, Alessandro Troisi
Published in: J. Chem. Phys., Issue 157 (13), 134106, 2022, ISSN 1089-7690
Publisher: AIP Publishing
DOI: 10.1063/5.0102857/

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

Author(s): Ömer H. Omar, Xiaoyu Xie, Alessandro Troisi, Daniele Padula
Published in: Journal of the American Chemical Society, Issue 145, 2023, ISSN 0002-7863
Publisher: 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

Author(s): Xia Wu, Xiaoyu Xie, Alessandro Troisi
Published in: Journal of Materials Chemistry C, Issue 12, 2024, ISSN 2050-7526
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/D4TC03511A

Guidelines for Material Design in Semitransparent Organic Solar Cells

Author(s): Karen Forberich, Alessandro Troisi, Chao Liu, Michael Wagner, Christoph J. Brabec, Hans‐Joachim Egelhaaf
Published in: Advanced Functional Materials, Issue 34, 2024, ISSN 1616-301X
Publisher: Wiley
DOI: 10.1002/ADFM.202314116