Computational Materials Design for Band Gap Engineering
A special issue of Crystals (ISSN 2073-4352).
Deadline for manuscript submissions: closed (30 August 2019)
Special Issue Editor
Interests: integrated computational materials engineering; materials-by-design; computational mechanics; crystal plasticity; atomistic simulations; materials informatics and high performance computing
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear colleagues,
Band gap engineering is an attractive area for computational materials design, and addresses the control of multiscale material features to achieve superior optical, thermal, and electronic properties. This Special Issue considers all manuscripts addressing the band gap design of crystalline materials (0d, 1D, 2D, 3D) in multiple length scales and multiple material models for a wide range of applications in energy, electronics, optoelectronics, biomedical, and aerospace industries. The current Special Issue covers all manuscripts utilizing first-principles computations, atomistic simulations, and meso-, macro-, and multi-scale algorithms to understand and design band gap in all crystalline materials, including multifunctional nanomaterials, metamaterials, heterostructures, and interfaces. We welcome all submissions from all studies dealing with computational approaches for band gap engineering.
Dr. Ali Ramazani
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.
Keywords
- band gap
- optical properties
- electronic properties
- semiconductor
- first-principles computations
- atomistic simulations
- meso-, macro-, and multi-scale simulations
- multifunctional nanomaterials
- heterostructures
- interfaces
