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: closed (29 February 2024) | Viewed by 153
Special Issue Editor
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
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Keywords
- material design
- high-throughput screening
- new energy
- mechanism of energy reactions
- descriptor
- relationship between structure and activity
- stability
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