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Crystals
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2D Crystalline Monolayer Nanosheets
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2D Crystalline Monolayer Nanosheets

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Industrial Crystallization".

Deadline for manuscript submissions: closed (20 September 2021) | Viewed by 12776

Special Issue Editors

Prof. Dr. Haihui Zhang

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Guest Editor
School of Metallurgy Engineering, Jiangxi University of Science and Technology, Ganzhou 341000, China
Interests: 2D crystalline nanomaterials; semiconductors; sensor; crystallization process design and optimization; crystalline structure; crystalline interface
Prof. Dr. Xunhui Xiong

E-Mail Website
Guest Editor
School of Environment and Energy, South China University of Technology, Guangzhou 510006, China
Interests: 2D crystalline nanomaterials for battery; HER; OER
Dr. Huihui Xiong

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Guest Editor
School of Metallurgy Engineering, Jiangxi University of Science and Technology, Ganzhou 341000, China
Interests: 2D crystalline nanomaterials; gas sensor; 2D materials based catalysts
Prof. Dr. Yaohui Qu

E-Mail Website
Guest Editor
School of Physics, Communication and Electronics, Jiangxi Normal University, Nanchang 330022, China
Interests: nanomaterials synthesis; energy storage; carbon nanomaterials; battery; graphene-based materials; supercapacitors

Special Issue Information

Dear Colleagues,

2D crystalline nanomaterials at an atomic level are promising candidates for a wide range of applications in the fields of gas sensors, electrocatalysts, energy storage, electronic devices, and so on. 2D crystalline nanomaterials, such as graphene, phosphorene, MXenes, transition metal dichalcogenides, and layered metal oxides, have many unique properties such as a very high electron mobility, very high thermal conductivity, and high strength. The synthesis of high-quality and atomically thin materials in large areas is a subject of intensive and ongoing investigation. The thicknesses, defects, ionic bonding, and multi-components present in 2D crystals are influential in its properties. Therefore, before the processing of a new 2D crystalline nanomaterial, there is a critical need to develop theoretical models to predict its stability and potential novel properties. Following these theoretical predictions, basic research in the processing methods of large area 2D crystalline nanomaterials and composites of various different materials may be extended. 

Prof. Dr. Haihui Zhang
Prof. Dr. Xunhui Xiong
Dr. Huihui Xiong
Prof. Dr. Yaohui Qu
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. 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

  • Gas sensor
  • 2D Crystalline nanomaterials for battery
  • Nanomaterials synthesis
  • Carbon nanomaterials
  • CO2 capture and separate
  • Electro-optical properties of 2D heterojunction
  • First-principles calculation
  • Transport properties
  • Magnetic properties
  • Catalytic activity
  • Hydrogen evolution reaction and oxygen reduction reaction
  • Electronic structure
  • Gas adsorption
  • Oxidation resistance

Published Papers (6 papers)

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Research

8 pages, 1671 KiB  
Article
Effect of Graphene on Ice Polymorph
by Chuanbao Zheng, Hao Lu, Quanming Xu, Tianyi Liu, Aniruddha Patil, Jianyang Wu, Renko de Vries, Han Zuilhof and Zhisen Zhang
Crystals 2021, 11(9), 1134; https://0-doi-org.brum.beds.ac.uk/10.3390/cryst11091134 - 18 Sep 2021
Cited by 3 | Viewed by 2879
Abstract
Recently, ice with stacking disorder structure, consisting of random sequences of cubic ice (Ic) and hexagonal ice (Ih) layers, was reported to be more stable than pure Ih/Ic. Due to a much lower free energy [...] Read more.
Recently, ice with stacking disorder structure, consisting of random sequences of cubic ice (Ic) and hexagonal ice (Ih) layers, was reported to be more stable than pure Ih/Ic. Due to a much lower free energy barrier of heterogeneous nucleation, in practice, the freezing process of water is controlled by heterogeneous nucleation triggered by an external medium. Therefore, we carry out molecular dynamic simulations to explore how ice polymorphism depends on the lattice structure of the crystalline substrates on which the ice is grown, focusing on the primary source of atmospheric aerosols, carbon materials. It turns out that, during the nucleation stage, the polymorph of ice nuclei is strongly affected by graphene substrates. For ice nucleation on graphene, we find Ih is the dominant polymorph. This can be attributed to structural similarities between graphene and basal face of Ih. Our results also suggest that the substrate only affects the polymorph of ice close to the graphene surface, with the preference for Ih diminishing as the ice layer grows. Full article
(This article belongs to the Special Issue 2D Crystalline Monolayer Nanosheets)
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12 pages, 3481 KiB  
Article
Mechanism and Effect of the Dilution Gas Flow Rate on Various Fe–Si/SiO2 Soft Magnetic Composites during Fluidised Bed Chemical Vapour Deposition
by Zhaoyang Wu, Zihan Gao, Qian Zhao, Hui Kong, Mingyang Li and Jixiang Jia
Crystals 2021, 11(8), 963; https://0-doi-org.brum.beds.ac.uk/10.3390/cryst11080963 - 16 Aug 2021
Cited by 3 | Viewed by 1483
Abstract
The effect of the dilution gas flow rate on inorganic oxide insulating layers can improve fluidised bed chemical vapour deposition (FBCVD) in Fe–Si/inorganic-oxide soft magnetic composites and obtain excellent magnetic properties. Herein, Fe–Si/SiO2 composite particles coated via FBCVD and deposited at a [...] Read more.
The effect of the dilution gas flow rate on inorganic oxide insulating layers can improve fluidised bed chemical vapour deposition (FBCVD) in Fe–Si/inorganic-oxide soft magnetic composites and obtain excellent magnetic properties. Herein, Fe–Si/SiO2 composite particles coated via FBCVD and deposited at a 125–350 mL/min Ar-dilution gas flow rate were prepared and sintered into soft magnetic composites. Results demonstrate that SiO2 deposited on the Fe–Si substrate particle surface changed from submicron SiO2 clusters (125 mL/min) to an incomplete SiO2 film, then to a complete SiO2 film, and finally to a porous SiO2 film as the Ar-dilution gas flow rate increased. SiO2 layers began to transform from the amorphous to the beta-cristobalite state with a hexagonal crystal structure between 1149.45 K and 1280.75 K. However, the SiO2 amorphous layers’ crystallisation did not affect the Fe–Si substrate particles’ crystal structure. With the increasing Ar-dilution gas flow rate, the saturation magnetisation of Fe–Si/SiO2 soft magnetic composites initially decreased and then increased. The electrical resistivity increased before 150 mL/min, followed by an increase between 150 and 250 mL/min and then decreased, whereas the total core loss exhibited the opposite trend. These results show that magnetic performance can be promoted by selecting a suitable dilution flow rate. Full article
(This article belongs to the Special Issue 2D Crystalline Monolayer Nanosheets)
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15 pages, 7908 KiB  
Article
Migration and Enrichment Behaviors of Ca and Mg Elements during Cooling and Crystallization of Boron-Bearing Titanium Slag Melt
by Helin Fan, Ruixiang Wang, Zhifeng Xu, Huamei Duan and Dengfu Chen
Crystals 2021, 11(8), 888; https://0-doi-org.brum.beds.ac.uk/10.3390/cryst11080888 - 30 Jul 2021
Cited by 6 | Viewed by 1456
Abstract
Synthetic rutile was prepared from titanium slag melt with low energy consumption and a small amount of additive (B2O3) in our previous work. The modification mechanism of titanium slag was not clear enough. The migration and enrichment behaviors of [...] Read more.
Synthetic rutile was prepared from titanium slag melt with low energy consumption and a small amount of additive (B2O3) in our previous work. The modification mechanism of titanium slag was not clear enough. The migration and enrichment behaviors of Ca and Mg elements during cooling and crystallization of boron-bearing titanium slag melt were characterized by XRF, FESEM, EMPA, and XPS. Results show that when additive (B2O3) is added, Ti elements are migrated and enriched in the area to generate rutile, while Ca, Mg, and B elements are migrated and enriched in another area to generate borate. With the additive (B2O3) amount increased, Ca and Mg element migration is complete and more thorough. Additive (B2O3) promotes rutile formation and inhibits the formation of anosovite during cooling and crystallization of titanium slag melt. With the additive (B2O3) amount increasing from 0% to 6%, the proportion of Ti3+ in the modified titanium slag reduces from 9.15% to 0%, and the proportion of Ti4+ increases from 90.85% to 100% under the same cooling and crystallization condition. The result will lay the foundation for the efficient preparation of synthetic rutile by adding B2O3 to the titanium slag melt. Full article
(This article belongs to the Special Issue 2D Crystalline Monolayer Nanosheets)
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7 pages, 1923 KiB  
Article
Fe2O3 Microcubes Derived from Metal–Organic Frameworks for Lithium-Ion Storage with Excellent Performance
by Caini Zhong, Jiaming Liu, Yanhua Lu and Haihui Zhang
Crystals 2021, 11(8), 854; https://0-doi-org.brum.beds.ac.uk/10.3390/cryst11080854 - 22 Jul 2021
Cited by 3 | Viewed by 1731
Abstract
Transition metal oxides are regarded as a potential electrode material for lithium-ion storage due to it features high theoretical capacity and low cost. In this study, the possibility of Fe2O3 microcubes as an electrode material for lithium-ion storage was investigated, [...] Read more.
Transition metal oxides are regarded as a potential electrode material for lithium-ion storage due to it features high theoretical capacity and low cost. In this study, the possibility of Fe2O3 microcubes as an electrode material for lithium-ion storage was investigated, where the anode electrode of Fe2O3 microcubes were created through Prussian blue (PB) metal–organic frameworks (MOFs) and followed by the calcination process at high temperature. The results showed that the Fe2O3 microcubes electrode obtained by the calcination process at 500 °C exhibited superior electrochemical performances than that of Fe2O3 obtained by the calcination process at 700 °C. The increase in calcination temperature will lead to the further sintering reaction between the particles and the formation of cracks and voids in crystals that eventually lead to the breakup of microcube and so lower stable structure of the Fe2O3 microcubes electrode. Fe2O3 microcubes exhibited an excellent/stable lithium storage performance and thus is a promising anode material for LIBs. Full article
(This article belongs to the Special Issue 2D Crystalline Monolayer Nanosheets)
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11 pages, 3502 KiB  
Article
SiC3 as a Charge-Regulated Material for CO2 Capture
by Haihui Zhang, Huihui Xiong and Wei Liu
Crystals 2021, 11(5), 543; https://0-doi-org.brum.beds.ac.uk/10.3390/cryst11050543 - 13 May 2021
Cited by 4 | Viewed by 1898
Abstract
The increasing CO2 emission rate is deteriorating the atmospheric environment, leading to global warming and climate change. The potential of the SiC3 nanosheet as a functioning material for the separation of CO2 from the mixture of CO2, H [...] Read more.
The increasing CO2 emission rate is deteriorating the atmospheric environment, leading to global warming and climate change. The potential of the SiC3 nanosheet as a functioning material for the separation of CO2 from the mixture of CO2, H2, N2 and CH4 by injecting negative charges is studied by DFT calculations in this paper. The results show that in the absence of injecting negative charges, CO2 interacts weakly with the SiC3 nanosheet. While the interaction between CO2 and the SiC3 nanosheet can be strengthened by the injection of negative charges, the absorption mechanism of CO2 changes from physisorption to chemisorption when the injection of negative charges is switched on. H2/N2/CH4 are all physiosorbed on the SiC3 nanosheet with/without the injection of negative charges. The mechanism of CO2 adsorption/desorption on the SiC3 nanosheet could be tuned by switching on/off the injection of negative charges. Our results indicate that the SiC3 nanosheet can be regarded as a charge-regulated material for the separation of CO2 from the CO2/H2/N2/CH4 mixture. Full article
(This article belongs to the Special Issue 2D Crystalline Monolayer Nanosheets)
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8 pages, 2428 KiB  
Article
Strain-Induced Tunable Band Offsets in Blue Phosphorus and WSe2 van der Waals Heterostructure
by Lingxia Zhang, Le Huang, Tao Yin and Yibin Yang
Crystals 2021, 11(5), 470; https://0-doi-org.brum.beds.ac.uk/10.3390/cryst11050470 - 22 Apr 2021
Cited by 6 | Viewed by 2351
Abstract
The electronic structure and band offsets of blue phosphorus/WSe2 van der Waals (vdW) heterostructure are investigated via performing first-principles calculations. Blue phosphorus/WSe2 vdW heterostructure exhibits modulation of bandgaps by the applied vertical compressive strain, and a large compressive strain of more [...] Read more.
The electronic structure and band offsets of blue phosphorus/WSe2 van der Waals (vdW) heterostructure are investigated via performing first-principles calculations. Blue phosphorus/WSe2 vdW heterostructure exhibits modulation of bandgaps by the applied vertical compressive strain, and a large compressive strain of more than 23% leads to a semiconductor-to-metal transition. Blue phosphorus/WSe2 vdW heterostructure is demonstrated to have a type-II band alignment, which promotes the spontaneous spatial separation of photo-excited electrons and holes. Furthermore, electrons concentrating in BlueP and holes in WSe2 can be enhanced by applied compressive strain, resulting in an increase of carrier concentration. Therefore, these properties make blue phosphorus/WSe2 vdW heterostructure a good candidate for future applications in photodetection. Full article
(This article belongs to the Special Issue 2D Crystalline Monolayer Nanosheets)
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