H2020Индивидуална стипендия2021–2023

Sol2H2 · Computational Design of Materials for Photocatalytic Hydrogen Generation and Separation

„Хоризонт 2020“ — Действия „Мария Склодовска-Кюри“

Период: 2021-09-15 → 2023-09-14
Финансиране от ЕС: 162 806 €
Участници: 1
Схема: MSCA-IF

Линиите свързват координатора с партньорите.

Накратко на български

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Този кратък обзор е генериран от изкуствен интелект

Кратко обяснение, генерирано от езиков модел по текста на CORDIS. Оригиналът е по-долу.

Резултати накратко

Computational Design of Materials for Photocatalytic Hydrogen Generation and Separation

The Sol2H2 project aims to tackle the critical challenge in the green energy generation and utilization based on the low-dimensional nanomaterials, including the efficient production and separation of hydrogen. Also, the optimization of water-associated reactions, specifically those integral to sustainable energy generation should also be addressed. Achieving efficient water-related reactions is essential for realizing the full potential of green and high-density energies such as hydrogen energy. The Sol2H2 project is of important for society in three parts: 1) Transition to sustainable energy. This project contributes to the ongoing global transition to sustainable energy sources. By addressing challenges in hydrogen production or water-related reactions, the project plays a crucial role in facilitating a shift away from traditional, environmentally impactful energy sources. The green energy generation aligns with broader environmental sustainability goals. By promoting the efficient production of hydrogen, the project could help reduce reliance on fossil fuels, mitigating environmental impact, and addressing climate change concerns. 2) Unlocking the potential of hydrogen: Hydrogen is recognized as a clean and versatile energy carrier with the potential to significantly reduce greenhouse gas emissions. By overcoming challenges in hydrogen production and separation, the Sol2H2 project contributes to unlocking the full potential of hydrogen as a clean energy solution. 3) Responsible water resource management: optimizing water-associated reactions not only enhances energy generation processes but also aligns with responsible water resource management. As energy scarcity becomes a global concern, the project's emphasis on efficient water-related reactions contributes to the sustainable use of the numerous water resource. In this project, we aim to demonstrate the hydrogen generation and separation process based on the low-dimensional based materials via ab initio calculations and dynamic simulations, to provide a knob for understanding the mechanism of proton tunneling, and further, the efficient water-related reaction and hydrogen generation for the wide practical application. Furthermore, we also expect to establish the relations between electronic structure and reaction performance, identify key electronic factors influencing reaction outcomes, and develop a rational design principle for materials with extraordinary performance in hydrogen-related reactions.

Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз

Цел на проекта

Hydrogen energy is treated as a promising renewable green energy source for the worldwide growing energy demands. To produce this sustainable energy, photocatalytic water splitting has attracted wide attentions. However, it suffers from a bottleneck problem originated from the readily mixture of hydrogen and oxygen species, which poses safety issue and undermines yield of hydrogen and oxygen molecules, thus hindering its large-scale practical applications. To tackle this challenge, we plan to design nanocomposite structures based on low-dimensional graphene-like materials for photocatalytic hydrogen production and separation via the theoretical simulations. The unique structural feature endows low-dimensional nanomaterials with excellent physical and chemical properties for catalytic reaction. Importantly, thanks to the selective permeability of protons, the atomically thin graphene-like materials can be used as a sieve to isolate the hydrogen molecules generated by protons reduction from the oxygen species, preventing the serious reverse reaction. Through our project, we aim to establish a rational design principle for the optimal catalysts screening and achieve the atomic-level structural design and manipulation of low-dimensional based materials with excellent performance. In addition, as the proton penetration is the central part to bridge the proton generation process and hydrogen production, we also want to identify the mechanism of proton tunneling and improve the proton penetration rate for the further applications. This Sol2H2 project provides an efficient and imperative approach for both fundamental research and practical application in hydrogen energy.

Оригинален текст от CORDIS (на английски).

Участници

HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF EV · DresdenКоординаторГермания