Search Results - "Guo, Gencai"
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Temperature-Sensitive Structure Evolution of Lithium–Manganese-Rich Layered Oxides for Lithium-Ion Batteries
Published in Journal of the American Chemical Society (14-11-2018)“…Cathodes of lithium-rich layered oxides for high-energy Li-ion batteries in electrically powered vehicles are attracting considerable attention by the research…”
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First-principles study on the electronic, magnetic and optical properties of the novel squared SN2 monolayer with 3d transition metal doping and point vacancy
Published in Results in physics (01-02-2024)“…•The AIMD simulations indicate that all doped S-SN2 monolayers exhibit excellent structural stability.•The ferromagnetic spin semiconducting character can be…”
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Selective Direct Growth of Atomic Layered HfS2 on Hexagonal Boron Nitride for High Performance Photodetectors
Published in Chemistry of materials (12-06-2018)“…Hafnium disulfide (HfS2) has attracted significant interest because of the predicted excellent electronic properties superior to group VIB transition metal…”
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First-principle investigation on multiferroicity and interfacial coupling of nonstoichiometric tetragonal La2/3Sr1/3MnO3/BiCoO3 interface
Published in Current applied physics (01-11-2019)“…The energetically stable tetragonal nonstoichiometric La2/3Sr1/3MnO3/BiCoO3 (LSMO/BCO) interface, whose chemical formula is (BiO)3(CoO2)4/(LaO)3(SrO)1(MnO2)3,…”
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Multiscale structural NaTi2(PO4)3 anode for sodium‐ion batteries with long cycle, high areal capacity, and wide operation temperature
Published in Carbon energy (01-10-2024)“…Though plenty of research has been conducted to improve the low intrinsic electronic conductivity of NASICON‐structured NaTi2(PO4)3 (NTP), realizing sodium‐ion…”
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Chemical functionalization induced photocatalytic performance for water splitting of silicene: A first-principles investigation
Published in Colloids and surfaces. A, Physicochemical and engineering aspects (20-06-2023)“…To expand the application of silicene in the field of optoelectronics, here, the structural and mechanical stability, electronic, optical and photocatalytic…”
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Strain-enhanced properties of Janus Si2PAs monolayer as a promising photocatalyst for the splitting of water: Insights from first-principles calculations
Published in Colloids and surfaces. A, Physicochemical and engineering aspects (20-02-2023)“…In this work, the structural stability and the optoelectronic properties of Janus Si2PAs monolayer are systematically studied via first principles…”
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Theoretical design of C3N/Borophene heterostructure as high-performance anode materials for Li-ion batteries
Published in Electrochimica acta (20-09-2023)“…C3N has been widely studied as an anode material for lithium-ion batteries due to its excellent mechanical properties and high lithium storage capacity…”
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New chiral carbon nitrides with mixed sp2 and sp3 bonding discovered by random method combining with group and graph theory
Published in Scripta materialia (01-11-2024)“…Based on the random method combining with group and graph theory (RG2), a new chiral (P3221) framework is discovered, which can be considered as the second…”
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Investigation of growth-induced strain in monolayer MoS2 grown by chemical vapor deposition
Published in Applied surface science (01-04-2020)“…•MoS2 monolayer flakes with various shapes have been grown by CVD.•Growth-induced strain affect the MoS2 monolayers.•Investigated the mechanism of the distinct…”
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Metallic two-dimensional C3N allotropes with electron and ion channels for high-performance Li-ion battery anode materials
Published in Applied surface science (15-07-2020)“…[Display omitted] •Predicted three new C3N allotropes structures and verified its stability.•Investigated the origin of metallic behavior in C3N…”
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Adsorption of gas molecules on 2D Na3Bi monolayer: A first-principles study
Published in Physics letters. A (28-05-2021)“…•The adsorption of CO, O2, NO2, NO, H2S, NH3, SO2, CH4 and CH2O on 2D Na3Bi was researched by DFT.•The electronic properties change dramatically after…”
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Angle-Dependent Oscillatory Interlayer Coupling in Twisted MoS2/TaSe2 Heterostructure
Published in Journal of physical chemistry. C (29-02-2024)“…Interlayer coupling plays a crucial role in the electronic band structures and optoelectronic properties of the two-dimensional (2D) twisted heterostructures…”
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Angle-Dependent Oscillatory Interlayer Coupling in Twisted MoS 2 /TaSe 2 Heterostructure
Published in Journal of physical chemistry. C (29-02-2024)Get full text
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Defect-independent migration of Li on C3B for Li-ion battery anode material
Published in Solid state ionics (01-07-2022)“…Two dimensional C3B has attracted a lot of attentions due to its graphene-like structure. In this work, the potential of monolayer C3B as anode material of…”
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3D Fast Sodium Transport Network of MoS2 Endowed by Coupling of Sulfur Vacancies and Sn Doping for Outstanding Sodium Storage
Published in Small (Weinheim an der Bergstrasse, Germany) (01-05-2024)“…A sulfur vacancy‐rich, Sn‐doped as well as carbon‐coated MoS2 composite (Vs‐SMS@C) is rationally synthesized via a simple hydrothermal method combined with…”
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Cu- and Al-Decorated Monolayer TiSe2 for Enhanced Gas Detection Sensitivity: A DFT Study
Published in Langmuir (19-12-2023)“…The rapid industrial development has contributed to worsening global pollution, necessitating the urgent development of highly sensitive, cost-effective, and…”
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Strain‐Induced Selective Active Gas Sensor Based on Fe‐Loaded Black Phosphorus
Published in physica status solidi (b) (01-09-2024)“…The possibility of Fe loaded on BP (Fe@BP) as an efficient gas sensor for the detection of toxic gases such as NO2, NO, and CO is studied by the…”
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Crested 2D materials for optoelectronics and photonics
Published in Progress in quantum electronics (01-09-2022)“…To manipulate the electrical and optical properties of ultrathin two-dimensional (2D) layered materials, many approaches including the engineering of strain,…”
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3D Fast Sodium Transport Network of MoS 2 Endowed by Coupling of Sulfur Vacancies and Sn Doping for Outstanding Sodium Storage
Published in Small (Weinheim an der Bergstrasse, Germany) (01-05-2024)“…A sulfur vacancy-rich, Sn-doped as well as carbon-coated MoS composite (Vs-SMS@C) is rationally synthesized via a simple hydrothermal method combined with…”
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