New Graphene Materials for Electronics

Project funded by Fundação para a Ciência e a Tecnologia, I.P. (FCT) (FCT_CPCA_2020_01), grant CPCA/A2/2524/2020. Funded amount: EUR 4,920, as stated by the source. Runs 2021-01-01 to 2021-12-31. Keywords: Graphene, Nanoelectronics, Covalent Organic Frameworks (COFs), Graphene NanoRibbons, Quantum Chemistry, Engineering and technology. Source: OpenAIRE Graph, from the funder's project data (collected by OpenAIRE on 2025-07-19); national funding data, not CORDIS; selected because its keywords name quantum. Abstract given by the source: The discovery of graphene has opened up new exciting possibilities for the so-called 2D materials. Remarkably, graphene displays a high electron and hole mobility at room temperature due to its extended conjugation, with reported values in excess of 15,000 cm^2/V/s on SiO2. Additionally, it possesses a unique set of properties, such as transparency, lightweight and flexibility. However, graphene is a zero-gap semiconductor, which constitutes a hurdle in its implementation into electronic devices. This project aims to computationally study and design bottom-up graphene-based materials with suitable properties for new electronics devices. We will explore different novel and prospective graphene materials and molecules reachable by organic chemistry, namely graphene nanoribbons, flakes and related molecules as well as Covalent Organic Frameworks (COFs). The innovative part of this project lies in the combination of solid-state physics, computational chemistry and high-performance computing to compute, with high accuracy and thus predictively, the structure and electronic properties of several carbon-based molecular materials. For this, we will follow an ad-hoc multiscale approach based on a battery of technologies ranging from molecular mechanics and dynamics models to tight-binding, density functional theory and multideterminant ab-initio calculations.

Original source.

Source: OpenAIRE Graph: projects of national funders, OpenAIRE, from the project data of Fundação para a Ciência e a Tecnologia, I.P. (FCT). Retrieved 2026-10-28. Licence: Creative Commons Attribution 4.0 (OpenAIRE Graph). Selected metadata, adapted presentation; the publisher's record is authoritative. No endorsement by the source is implied. Licence: Creative Commons Attribution 4.0 (CC BY 4.0).

AI-assisted summary: The project, funded by FCT with a grant of EUR 4,920, runs from January 1 to December 31, 2021, focusing on the computational study and design of graphene-based materials for electronics. It explores the properties of graphene, including its high mobility and challenges as a zero-gap semiconductor. Suggested technology pillar: enabling. Generated by AI from the public source text; it may contain errors and the original source is authoritative.