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Energies
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Energy, Engineering and Materials 2024
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Energy, Engineering and Materials 2024

A special issue of Energies (ISSN 1996-1073). This special issue belongs to the section "D1: Advanced Energy Materials".

Deadline for manuscript submissions: 8 January 2025 | Viewed by 845

Special Issue Editors

Dr. Ray Tahir Mushtaq

E-Mail Website
Guest Editor
Department of Industry Engineering, School of Mechanical Engineering, Northwestern Polytechnical University, Xi'an 710072, China
Interests: sustainability optimization; energy optimization
Dr. Muhammad Jamil

E-Mail Website
Guest Editor
College of Mechanical and Electrical Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China
Interests: high-speed machining; cutting tool design; cryogenic cooling systems; life cycle assessment (LCA)
Special Issues, Collections and Topics in MDPI journals
Dr. Aqib Mashood Khan

E-Mail Website
Guest Editor
College of Mechanical and Electrical Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China
Interests: energy modeling; life-cycle assessment; resource-based energy consumption; nanofluids; hybrid CryoMQL
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The purpose of the Special Issue "Energy, Engineering, and Materials 2024" is to provide a platform for the assimilation of novel research and new developments in areas related to energy systems, engineering processes, and material science. Its primary focus will, therefore, be on sustainable solutions to energy, new engineering practices, and new materials that contribute to energy efficiency and sustainability. These topics include, but are not limited to, renewable energy technologies, clean energy, advanced manufacturing processes, material optimization for energy applications, and the integration of intelligent technologies into energy systems. In so doing, the present issue will offer an excellent opportunity for researchers, engineers, and industry professionals to share their recent research findings on the challenges they face and further outline the future directions in the field of energy and materials engineering.

Dr. Ray Tahir Mushtaq
Dr. Muhammad Jamil
Dr. Aqib Mashood Khan
Guest Editors

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. Energies is an international peer-reviewed open access semimonthly 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

  • renewable energy
  • clean energy
  • advanced manufacturing
  • material optimization
  • energy efficiency
  • smart technologies
  • sustainable engineering

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Published Papers (1 paper)

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Research

18 pages, 5102 KiB  
Article
Enhancing Thermoelectric Performance of Mg3Sb2 Through Substitutional Doping: Sustainable Energy Solutions via First-Principles Calculations
by Muhammad Owais, Xian Luo, Bin Huang, Yanqing Yang, Mudassar Rehman and Ray Tahir Mushtaq
Energies 2024, 17(21), 5358; https://doi.org/10.3390/en17215358 - 28 Oct 2024
Viewed by 619
Abstract
Mg3Sb2-based materials, part of the Zintl compound family, are known for their low thermal conductivity but face challenges in thermoelectric applications due to their low energy conversion efficiency. This study addressed these limitations through first-principles calculations using the CASTEP [...] Read more.
Mg3Sb2-based materials, part of the Zintl compound family, are known for their low thermal conductivity but face challenges in thermoelectric applications due to their low energy conversion efficiency. This study addressed these limitations through first-principles calculations using the CASTEP module in Materials Studio 8.0, aiming to enhance the thermoelectric performance of Mg3Sb2 via strategic doping. Density functional theory (DFT) calculations were performed to analyze electronic properties, including band structure and density of states (D.O.S.), providing insights into the influence of various dopants. The semiclassical Boltzmann transport theory, implemented in BoltzTrap (version 1.2.5), was used to evaluate key thermoelectric properties such as the Seebeck coefficient, electrical conductivity, electronic thermal conductivity, and electronic figure of merit (eZT). The results indicate that doping significantly improved the thermoelectric properties of Mg3Sb2, facilitating a transition from p-type to n-type behavior. Bi doping reduced the band gap from 0.401 eV to 0.144 eV, increasing carrier concentration and mobility, resulting in an electrical conductivity of 1.66 × 106 S/m and an eZT of 0.757. Ge doping increased the Seebeck coefficient to −392.1 μV/K at 300 K and reduced the band gap to 0.09 eV, achieving an electronic ZT of 0.859 with low thermal conductivity (11 W/mK). Si doping enhanced stability and achieved an electrical conductivity of 1.627 × 106 S/m with an electronic thermal conductivity of 11.3 W/mK, improving thermoelectric performance. These findings established the potential of doped Mg3Sb2 as a highly efficient thermoelectric material, paving the way for future research and applications in sustainable energy solutions. Full article
(This article belongs to the Special Issue Energy, Engineering and Materials 2024)
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