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  1. Article ; Online: A van der Waals p-n heterostructure of GaSe/SnS

    Xu, Zhiyuan / Xia, Qiong / Zhang, Long / Gao, Guoying

    Nanoscale

    2024  Volume 16, Issue 5, Page(s) 2513–2521

    Abstract: In recent years, van der Waals heterostructures (vdWHs) with controllable and peculiar properties have attracted extensive attention in the fields of electronics, optoelectronics, spintronics and electrochemistry. However, vdWHs with good thermoelectric ... ...

    Abstract In recent years, van der Waals heterostructures (vdWHs) with controllable and peculiar properties have attracted extensive attention in the fields of electronics, optoelectronics, spintronics and electrochemistry. However, vdWHs with good thermoelectric performance are few due to the complex coupling of thermoelectric coefficients. Here, we employ density functional theory and Boltzmann's transport equation to explore the thermoelectric properties of the p-n vdWH of GaSe/SnS
    Language English
    Publishing date 2024-02-01
    Publishing country England
    Document type Journal Article
    ZDB-ID 2515664-0
    ISSN 2040-3372 ; 2040-3364
    ISSN (online) 2040-3372
    ISSN 2040-3364
    DOI 10.1039/d3nr05284b
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: First-principles study of the effect of S-atom doping on the optoelectronic properties of stanene.

    Ma, Mengting / Liu, Guili / Gao, Xuewen / Zhang, Guoying

    Journal of molecular modeling

    2024  Volume 30, Issue 4, Page(s) 115

    Abstract: Context: Based on the first principles, the influence of S-atom doping on the electronic and optical properties of stanene is comprehensively examined in this work. The results show that pure stanene is a quasi-metal with zero bandgap. After doping with ...

    Abstract Context: Based on the first principles, the influence of S-atom doping on the electronic and optical properties of stanene is comprehensively examined in this work. The results show that pure stanene is a quasi-metal with zero bandgap. After doping with an S atom, opening the bandgap of pure stanene becomes possible and the state of the stanene is converted from quasi-metal to semiconductor. Analysis of the density of states reveals that the density of states of all doped systems is primarily made of the p-orbital of the Sn. The overlap population analysis showed that charge transfer occurs between S and Sn atoms under different doping concentrations. The charge transfer increases with increasing doping concentration. The charge transfer reaches a maximum at a doping concentration of 9.38%. The increase in doping concentration causes blue-shifting of the absorption and reflection peaks of the doped system as compared to those of pure stanene. It is expected that these studies can provide theoretical guidance for the practical application of stanene in optoelectronic devices.
    Methods: All simulations are undertaken with the Cambridge Sequential Total Energy Package (CASTEP) (Wei et al. Physica B: Condensed Matter 545:99, 2018; Bafekry et al. Phys Chem Chem Phys, 2021; Zala et al. Appl Surf Sci, 2022; Bafekry et al. Nanotechnology, 2021; Bafekry et al. Phys Chem Chem Phys, 2021; Bafekry et al. J Phys: Condens Matter, 2021), which is based on density functional theory (DFT). For the exchange correlation, the generalized gradient approximation (GGA) is implemented with the Perdew-Burke-Ernzerhof (PBE) functional Perdew et al. Phys Rev B Condens Matter 48:4978, 1993. Using the Monkhorst-Pack technique, a specific K-point sample of the Brillouin zone was carried out Monkhorst and Pack Phys Rev B 13:5188, 1976. After the convergence tests, the K-point grid was set to 3 × 3 × 1. The plane-wave truncation energy was set to 400 eV. The residual stress for all atoms was 0.03 eV/Å. The energy convergence criterion was 1.0 × 10
    Language English
    Publishing date 2024-04-01
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1284729-X
    ISSN 0948-5023 ; 1610-2940
    ISSN (online) 0948-5023
    ISSN 1610-2940
    DOI 10.1007/s00894-024-05905-4
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: High spin polarization, large perpendicular magnetic anisotropy and room-temperature ferromagnetism by biaxial strain and carrier doping in Janus MnSeTe and MnSTe.

    Zhang, Long / Zhao, Yan / Liu, Yuqi / Gao, Guoying

    Nanoscale

    2023  Volume 15, Issue 46, Page(s) 18910–18919

    Abstract: The emerging two-dimensional (2D) Janus systems with broken symmetry provide a new platform for designing ultrathin multifunctional spintronic materials. Recently, based on experimental monolayer ... ...

    Abstract The emerging two-dimensional (2D) Janus systems with broken symmetry provide a new platform for designing ultrathin multifunctional spintronic materials. Recently, based on experimental monolayer MnSe
    Language English
    Publishing date 2023-11-30
    Publishing country England
    Document type Journal Article
    ZDB-ID 2515664-0
    ISSN 2040-3372 ; 2040-3364
    ISSN (online) 2040-3372
    ISSN 2040-3364
    DOI 10.1039/d3nr04627c
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Effective modulation of the exotic properties of two-dimensional multifunctional TM

    Long, De-Bing / Feng, Yulin / Gao, Guoying / Yang, Li-Ming

    Nanoscale

    2023  Volume 15, Issue 22, Page(s) 9843–9863

    Abstract: The exotic physicochemical properties of TM atom (3d, 4d, and 5d) embedded g- ... ...

    Abstract The exotic physicochemical properties of TM atom (3d, 4d, and 5d) embedded g-C
    Language English
    Publishing date 2023-06-08
    Publishing country England
    Document type Journal Article
    ZDB-ID 2515664-0
    ISSN 2040-3372 ; 2040-3364
    ISSN (online) 2040-3372
    ISSN 2040-3364
    DOI 10.1039/d3nr00984j
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Construction of Trisubstituted Hydrazones via Base-Mediated Cascade Condensation

    Hao, Wentao / Gao, Shuo / Cui, Hongyi / Ding, Ding / Jiang, Shaohua / Zhang, Chunyan / Ji, Yuqi / Zhang, Guoying

    The Journal of organic chemistry

    2024  Volume 89, Issue 4, Page(s) 2605–2621

    Abstract: A practical base-promoted tandem ... ...

    Abstract A practical base-promoted tandem condensation
    Language English
    Publishing date 2024-02-05
    Publishing country United States
    Document type Journal Article
    ZDB-ID 123490-0
    ISSN 1520-6904 ; 0022-3263
    ISSN (online) 1520-6904
    ISSN 0022-3263
    DOI 10.1021/acs.joc.3c02621
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    In stock of ZB MED Cologne/Königswinter

    Zs.A 4473: Show issues Location:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (2.OG)
    ab Jg. 2022: Lesesaal (EG)

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  6. Article ; Online: Controlled condensation by liquid contact-induced adaptations of molecular conformations in self-assembled monolayers.

    Bai, Guoying / Zhang, Haiyan / Gao, Dong / Fei, Houguo / Guo, Cunlan / Ren, Mingxia / Liu, Yufeng

    Nature communications

    2024  Volume 15, Issue 1, Page(s) 3132

    Abstract: Surface condensation control strategies are crucial but commonly require relatively tedious, time-consuming, and expensive techniques for surface-chemical and topographical engineering. Here we report a strategy to alter surface condensation behavior ... ...

    Abstract Surface condensation control strategies are crucial but commonly require relatively tedious, time-consuming, and expensive techniques for surface-chemical and topographical engineering. Here we report a strategy to alter surface condensation behavior without resorting to any molecule-type or topographical transmutations. After ultrafast contact of liquids with and removal from surfaces, the condensation rate and density of water droplets on the surfaces decrease, the extent of which is positively correlated with the polarity of the liquid and the duration of contact. The liquid contact-induced condensation rate/density decrease (LCICD) can be attributed to the decrease of nucleation site density resulted from the liquid contact-induced adaption of surface molecular conformation. Based on this, we find that LCICD is applicable to various surfaces, on condition that there are flexible segments capable of shielding at least part of nucleation sites through changing the conformation under liquid contact induction. Leveraging the LCICD effect, we achieve erasable information storage on diverse substrates. Furthermore, our strategy holds promise for controlling condensation of other substances since LCICD is not specific to the water condensation process.
    Language English
    Publishing date 2024-04-11
    Publishing country England
    Document type Journal Article
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-024-47507-x
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: 2D Nb

    Wu, Xuming / Gao, Guoying / Hu, Lei / Qin, Dan

    Nanotechnology

    2021  Volume 32, Issue 24

    Abstract: Recently, the experimentally synthesized ... ...

    Abstract Recently, the experimentally synthesized Nb
    Language English
    Publishing date 2021-03-26
    Publishing country England
    Document type Journal Article
    ZDB-ID 1362365-5
    ISSN 1361-6528 ; 0957-4484
    ISSN (online) 1361-6528
    ISSN 0957-4484
    DOI 10.1088/1361-6528/abedeb
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: A strain-induced considerable decrease of lattice thermal conductivity in 2D KAgSe with Coulomb interaction.

    Xu, Zhiyuan / Xia, Qiong / Gao, Guoying

    Physical chemistry chemical physics : PCCP

    2022  Volume 24, Issue 40, Page(s) 24917–24923

    Abstract: Based on first-principles calculations in combination with the Boltzmann transport theory, we investigate the effects of onsite Coulomb interaction and strain on the lattice thermal conductivity of the KAgSe monolayer, a recently discovered 2D ... ...

    Abstract Based on first-principles calculations in combination with the Boltzmann transport theory, we investigate the effects of onsite Coulomb interaction and strain on the lattice thermal conductivity of the KAgSe monolayer, a recently discovered 2D thermoelectric system with a low lattice thermal conductivity when the onsite Coulomb interaction was not considered (X. Zhang, C. Liu, Y. Tao, Y. Li, Y. Guo, Y. Chen, X. C. Zeng and J. Wang,
    Language English
    Publishing date 2022-10-19
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d2cp01395a
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: A VSi

    Han, Jiangchao / Feng, Yulin / Gao, Guoying

    Physical chemistry chemical physics : PCCP

    2022  Volume 24, Issue 33, Page(s) 19734–19742

    Abstract: Reconfigurable magnetic tunnel diodes have recently been proposed as a promising approach to decrease the base collector leakage currents. However, conventional bulk interfaces usually suffer from strong Fermi level pinning, making it difficult to ... ...

    Abstract Reconfigurable magnetic tunnel diodes have recently been proposed as a promising approach to decrease the base collector leakage currents. However, conventional bulk interfaces usually suffer from strong Fermi level pinning, making it difficult to miniaturize spintronic devices. Fortunately, 2D van der Waals (vdW) systems with ultra-clean interfaces and without dangling bonds can solve this problem. Inspired by the recently discovered novel electronic states of type-II spin gapless semiconductor in 2D VSi
    Language English
    Publishing date 2022-08-24
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d2cp02388a
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article: Noncardiac anomalies in children with congenital heart disease.

    Huang, Xianghui / Gao, Yuan / Chen, Weicheng / Sheng, Wei / Huang, Guoying

    Frontiers in cardiovascular medicine

    2023  Volume 10, Page(s) 1293210

    Abstract: Introduction: Noncardiac anomalies (NCAs) in patients with congenital heart defects (CHDs) are crucial for perioperative management and etiology studies. This study aimed to investigate NCAs in Chinese children with CHDs.: Methods: Medical records ... ...

    Abstract Introduction: Noncardiac anomalies (NCAs) in patients with congenital heart defects (CHDs) are crucial for perioperative management and etiology studies. This study aimed to investigate NCAs in Chinese children with CHDs.
    Methods: Medical records for CHD-diagnosed children hospitalized from 1 January 2015 to 31 December 2019 were collected and subjected to retrospective analyses to excavate potential association rules between CHDs and noncardiac malformations.
    Results: A total of 3,788 CHD patients were included in this study. The main phenotypes of CHD were Ventricular Septal Defect (VSD, 33.69%), Atrial Septal Defect (ASD, 12.72%), and Tetralogy of Fallot (TOF, 5.54%). A total of 887 (23.42%) cases showed noncardiac anomalies, which were mainly associated with the central nervous system (34.61%), nose/ear/mandibular/face (19.39%), genitourinary system (15.78%), and musculoskeletal system (15.56%). Compared to other CHD subtypes, septal defects had a lower percentage of associated NCAs (
    Disscussion: NCAs are prevalent among CHD-diagnosed children in China, and the spectrums of NCAs in different CHD subcategories were different.
    Language English
    Publishing date 2023-11-20
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2781496-8
    ISSN 2297-055X
    ISSN 2297-055X
    DOI 10.3389/fcvm.2023.1293210
    Database MEDical Literature Analysis and Retrieval System OnLINE

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