Special Issue "Rational Design and Efficient Screening of Energy Materials"

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Materials for Energy Applications".

Deadline for manuscript submissions: 29 February 2024 | Viewed by 76

Special Issue Editor

Shenzhen Engineering Center for the Fabrication of Two-Dimensional Atomic Crystals, Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen 518055, China
Interests: electrocatalysts; DFT calculation; machine learning; material design; energy materials

Special Issue Information

Dear Colleagues,

Addressing energy crises and environmental problems is a major means of realizing sustainable development strategies. The design and efficient screening of new energy materials are of great significance in addressing this critical issue. At present, energy materials are widely used in many fields, such as the conversion and storage of carbon-based energy, solar energy and electrical energy, etc. It has always been a research hotspot in the field of energy to develop new efficient and environmentally friendly energy materials and improve the activity, stability and selectivity of materials. With continuously improving experimental conditions, enhanced computer technology and the continuous improvement of people's understanding of materials, the design and screening of new energy materials on a large scale from a global perspective has become possible. This Special Issue focuses on the design and efficient screening of new energy materials, aiming to further clarify and solve the key scientific and technical problems in material development.

Dr. Xue Zhang
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Crystals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.


  • material design
  • high-throughput screening
  • new energy
  • mechanism of energy reactions
  • descriptor
  • relationship between structure and activity
  • stability

Published Papers

This special issue is now open for submission.
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