To reduce greenhouse gas emissions and combat climate change, the world urgently needs clean and renewable energy sources.

Materials Architecturing Research Center, Korea Institute of Science and Technology, Hwarang-ro 14-gil 5, Seongbuk-gu, Seoul 02792, Republic of Korea Convergence Research Center for Solutions to ...

A group of researchers has made significant progress in developing cost-effective catalysts for the oxygen evolution reaction (OER), a critical ... functional theory (DFT) calculations and ...

Pull requests help you collaborate on code with other people. As pull requests are created, they’ll appear here in a searchable and filterable list. To get started, you should create a pull request.

And a more in-depth exploration of OER reaction mechanism by in situ technique and DFT results will be conducted. This review can provide the basis for the development and modification of OER ...

Typical examples include hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR ... Recent studies show that the combination of density functional theory ...

Here, we report two kinds of catalysts with different spatial structures; we further explain the influence of spatial configuration on the dual-sties cooperation for boosting OER performance through ...

Die Firma DFT ist der Nachfolgebetrieb der im Sog des Commerzialbank-Skandals pleite gegangenen Dachdeckerei Zimmermann – mehr dazu in Land übernimmt Dachdeckerei. Der gegen die DFT Dach- und ...

and an implicit solvation model is applied within the framework of DFT. Specifically, we investigate two important issues: (i) How does the explicit consideration of the potential affect the catalyst ...