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Novel Two-Dimensional Energy-Environmental Materials

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Materials Chemistry".

Deadline for manuscript submissions: 31 December 2024 | Viewed by 1667

Special Issue Editors


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Guest Editor
School of Electronic Information Engineering, Yangtze Normal University, Chongqing 408100, China
Interests: first-principles calculations; 2D materials and hetero structures; optoelectronic materials and devices; photocatalysis; electrocatalysis; energy storage materials and devices
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Guest Editor
Key Laboratory of High Performance Scientific Computation, School of Science, Xihua University, Chengdu 610039, China
Interests: first-principles study; hydrogen storage

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Guest Editor
School of Materials and Physics, China University of Mining and Technology, Xuzhou 221116, China
Interests: electrochemistry; 2D materials; carbon material

Special Issue Information

Dear Colleagues,

We invite you to contribute to a new Special Issue entitled “Novel Two-Dimensional Energy-Environmental Materials”, which seeks to explore the latest developments and applications of 2D materials and their heterostructures in the fields of energy generation and environmental conservation.

As the global demand for sustainable energy solutions and environmental stewardship continues to grow, 2D materials and their heterostructures offer new avenues for addressing these pressing challenges. Due to the advantages of ultralow thickness, high strength, high conductivity, tunable electronic structures, and large surface-to-volume ratio, 2D materials and 2D heterostructures exhibit tremendous potential in energy conversion, energy storage, environmental protection, and pollution treatment. These advancements contribute significantly to a greener and more environmentally friendly future, while also opening new avenues for innovative applications that utilize the distinct benefits of 2D materials and their heterostructures. This Special Issue focuses on original research papers and reviews about the design and synthesis of novel 2D materials and 2D heterostructures, highlighting their applications and significant progress in the areas of energy conversion, energy storage, environmental protection, and pollution treatment.

This Research Topic includes, but is not limited to, the following:

  • Innovative synthesis and characterization of 2D materials and heterostructures.
  • Energy conversion and storage applications of 2D materials and heterostructures.
  • Environmental remediation and pollution control with 2D materials and heterostructures.
  • Theoretical modeling and computational studies of 2D materials and heterostructures.
  • Performance optimization of 2D m
  • Environmental stability of 2D materials and heterostructures.
  • Sensing applications of 2D materials.

Prof. Dr. Guangzhao Wang
Dr. Ning Wang
Dr. Xiangkai Kong
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. Molecules 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 2700 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

  • two-dimensional energy materials and heterostructures
  • solar cells and photodetectors
  • thermoelectric materials
  • photocatalysis
  • electrocatalysis
  • energy storage materials
  • environmentally friendly materials
  • environmental pollution remediation
  • synthesis and preparation methods

Published Papers (3 papers)

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Research

11 pages, 6516 KiB  
Article
Synthesis of Sulfur Vacancy-Bearing In2S3/CuInS2 Microflower Heterojunctions via a Template-Assisted Strategy and Cation-Exchange Reaction for Photocatalytic CO2 Reduction
by Aizhen Liao, Zhengchu Liu, Yiqing Wei, Qinghua Xie, Ting Kong, Maolin Zeng, Wenpeng Wang, Chao Yang, Linji Zhang, Yonggang Xu, Yong Zhou and Zhigang Zou
Molecules 2024, 29(14), 3334; https://doi.org/10.3390/molecules29143334 - 16 Jul 2024
Viewed by 341
Abstract
The synthesis of the accurate composition and morphological/structural design of multielement semiconductor materials is considered an effective strategy for obtaining high-performance hybrid photocatalysts. Herein, sulfur vacancy (Vs)-bearing In2S3/CuInS2 microflower heterojunctions (denoted Vs-In2S3/CuInS2) [...] Read more.
The synthesis of the accurate composition and morphological/structural design of multielement semiconductor materials is considered an effective strategy for obtaining high-performance hybrid photocatalysts. Herein, sulfur vacancy (Vs)-bearing In2S3/CuInS2 microflower heterojunctions (denoted Vs-In2S3/CuInS2) were formed in situ using In2S3 microsphere template-directed synthesis and a metal ion exchange-mediated growth strategy. Photocatalysts with flower-like microspheres can be obtained using hydrothermally synthesized In2S3 microspheres as a template, followed by Ostwald ripening growth during the metal cation exchange of Cu+ and In3+. The optimal heterostructured Vs-In2S3/CuInS2 microflowers exhibited CO and CH4 evolution rates of 80.3 and 11.8 μmol g−1 h−1, respectively, under visible-light irradiation; these values are approximately 4 and 6.8 times higher than those reported for pristine In2S3, respectively. The enhanced photocatalytic performance of the Vs-In2S3/CuInS2 catalysts could be attributed to the synergistic effects of the following factors: (i) the constructed heterojunctions accelerate charge-carrier separation; (ii) the flower-like microspheres exhibit highly uniform morphologies and compositions, which enhance electron transport and light harvesting; and (iii) the vs. may trap excited electrons and, thus, inhibit charge-carrier recombination. This study not only confirms the feasibility of the design of heterostructures on demand, but also presents a simple and efficient strategy to engineer metal sulfide photocatalysts with enhanced photocatalytic performance. Full article
(This article belongs to the Special Issue Novel Two-Dimensional Energy-Environmental Materials)
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8 pages, 1252 KiB  
Article
Theoretical Design of Tellurium-Based Two-Dimensional Perovskite Photovoltaic Materials
by Chunhong Long and Peihao Huang
Molecules 2024, 29(13), 3155; https://doi.org/10.3390/molecules29133155 - 2 Jul 2024
Viewed by 426
Abstract
In recent years, the photoelectric conversion efficiency of three–dimensional (3D) perovskites has seen significant improvements. However, the commercial application of 3D perovskites is hindered by stability issues and the toxicity of lead. Two–dimensional (2D) perovskites exhibit good stability but suffer from low efficiency. [...] Read more.
In recent years, the photoelectric conversion efficiency of three–dimensional (3D) perovskites has seen significant improvements. However, the commercial application of 3D perovskites is hindered by stability issues and the toxicity of lead. Two–dimensional (2D) perovskites exhibit good stability but suffer from low efficiency. Designing efficient and stable lead–free 2D perovskite materials remains a crucial unsolved scientific challenge. This study, through structural prediction combined with first–principles calculations, successfully predicts a 2D perovskite, CsTeI5. Theoretical calculations indicate that this compound possesses excellent stability and a theoretical efficiency of up to 29.3%, showing promise for successful application in thin–film solar cells. This research provides a new perspective for the design of efficient and stable lead-free 2D perovskites. Full article
(This article belongs to the Special Issue Novel Two-Dimensional Energy-Environmental Materials)
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12 pages, 6104 KiB  
Article
Designing Organic Spin-Gapless Semiconductors via Molecular Adsorption on C4N3 Monolayer
by Dongqiu Zhao, Xiao Tang, Wanyan Xing, Yixin Zhang, Xueying Gao, Mengrui Zhang, Zhengao Xie, Xunwang Yan and Lin Ju
Molecules 2024, 29(13), 3138; https://doi.org/10.3390/molecules29133138 - 1 Jul 2024
Cited by 1 | Viewed by 419
Abstract
Spin-gapless semiconductor (SGS), a class of zero-gap materials with fully spin-polarized electrons and holes, offers significant potential for high-speed, low-energy consumption applications in spintronics, electronics, and optoelectronics. Our first-principles calculations revealed that the Pca21 C4N3 monolayer exhibits a ferromagnetic ground [...] Read more.
Spin-gapless semiconductor (SGS), a class of zero-gap materials with fully spin-polarized electrons and holes, offers significant potential for high-speed, low-energy consumption applications in spintronics, electronics, and optoelectronics. Our first-principles calculations revealed that the Pca21 C4N3 monolayer exhibits a ferromagnetic ground state. Its band structure displays SGS-like characteristics, with the energy gap between the valence and conduction bands near the Fermi level in the spin-down channel much smaller than the one in the other spin channel. To enhance its SGS properties, we introduced electrons into the Pca21 C4N3 monolayer by adsorbing the CO gas molecule on its surface. Stable gas adsorption (CO@C4N3) effectively narrowed the band gap in the spin-down channel without changing the band gap in the spin-up channel obviously. Moreover, injecting holes into the CO@C4N3 system could increase the net magnetic moments and induce an SGS-to-metallic phase transition, while injecting electrons into the CO@C4N3 system is able to lower the net magnetic moments and cause an SGS-to-half-metallic phase transition. Our findings not only underscore a new promising material for practical metal-free spintronics applications but also illustrate a viable pathway for designing SGSs. Full article
(This article belongs to the Special Issue Novel Two-Dimensional Energy-Environmental Materials)
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