Search Results - "Miao, Naihua"
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2D Intrinsic Ferromagnets from van der Waals Antiferromagnets
Published in Journal of the American Chemical Society (21-02-2018)“…Intrinsically ferromagnetic 2D semiconductors are essential and highly sought for nanoscale spintronics, but they can only be obtained from ferromagnetic bulk…”
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2
Tunable Magnetism and Extraordinary Sunlight Absorbance in Indium Triphosphide Monolayer
Published in Journal of the American Chemical Society (16-08-2017)“…Atomically thin two-dimensional (2D) materials have received considerable research interest due to their extraordinary properties and promising applications…”
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3
Engineering Carbon Materials for Electrochemical Oxygen Reduction Reactions
Published in Advanced energy materials (01-08-2021)“…The electrochemical oxygen reduction reaction (ORR) is the key energy conversion reaction involved in fuel cells, metal‐air batteries, and hydrogen peroxide…”
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Theoretical investigation on the transition-metal borides with Ta3B4-type structure: A class of hard and refractory materials
Published in Computational materials science (01-02-2011)“…▸ Structural stability, mechanical properties and chemical bonding of the transition-metal borides M3B4 have been discussed. ▸ Two new compounds Hf3B4 and W3B4…”
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5
Stabilizing a Lithium Metal Battery by an In Situ Li2S‑modified Interfacial Layer via Amorphous-Sulfide Composite Solid Electrolyte
Published in Nano letters (11-11-2020)“…A novel strategy has been proposed to produce in situ Li2S at the interfacial layer between lithium anode and the solid electrolyte, by using an…”
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6
High thermoelectric performance of few-quintuple Sb2Te3 nanofilms
Published in Nano energy (01-01-2018)“…Antimony telluride (Sb2Te3) has a very low ZT value at room temperature, even though the alloys of Bi2Te3 and Sb2Te3 are the most widely used thermoelectric…”
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7
Pressure-induced semimetal-semiconductor transition and enhancement of thermoelectric performance in α-MgAgSb
Published in Applied physics letters (23-05-2016)“…Comparable to bismuth telluride, α-MgAgSb-based materials (α-MAS) have been investigated recently as promising candidates for room-temperature thermoelectric…”
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8
Stacking order modulated anomalous valley Hall effect in antiferromagnetic MXene
Published in Journal of Materiomics (01-01-2024)“…The valley index is a promising degree of freedom for information processing in electronic devices. However, the researches on valley polarization are mainly…”
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9
Mechanical properties and electronic structure of the incompressible rhenium carbides and nitrides: A first-principles study
Published in Solid state communications (01-12-2011)“…By means of first-principles calculations, the structural stability, mechanical properties and electronic structure of the newly synthesized incompressible Re…”
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10
Electronic, elastic, thermodynamic properties and structure disorder of γ-AlON solid solution from ab initio calculations
Published in Journal of alloys and compounds (25-01-2013)“…► We reassess the chemical bonding character of γ-AlON which shows strong ionicity. ► γ-AlON single-crystals exhibit highly elastic anisotropy. ► The…”
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11
Computational design of two‐dimensional magnetic materials
Published in Wiley interdisciplinary reviews. Computational molecular science (01-03-2022)“…As a long‐standing research topic in materials physics and chemistry, magnetic materials have been receiving increasing attention for their applications in…”
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12
First-principles investigation on the phase stability and chemical bonding of mInSb·nInTe phase-change random alloys
Published in Solid state communications (01-08-2010)Get full text
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13
Investigation on Ge5−xSbxTe5 phase-change materials by first-principles method
Published in Applied physics. A, Materials science & processing (01-06-2010)“…The structure stability and chemical bonding of Ge 5− x Sb x Te 5 ( x =0,1,2) phase-change alloys were studied by ab initio calculations. By analyzing…”
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14
Optimization of Thermoelectric Properties of MgAgSb-Based Materials: A First-Principles Investigation
Published in Journal of physical chemistry. C (25-06-2015)“…Recently, MgAgSb-based materials (MAS) have been proposed as promising candidates for room-temperature thermoelectric applications with a ZT larger than unity…”
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15
ALKEMIE: An intelligent computational platform for accelerating materials discovery and design
Published in Computational materials science (01-01-2021)“…[Display omitted] Developing new materials with target properties via the traditional trial-and-error ways is cost-inefficient, and sometimes ends up with…”
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I-doped Cu2Se nanocrystals for high-performance thermoelectric applications
Published in Journal of alloys and compounds (25-01-2019)“…Cu2Se is considered as a potential thermoelectric material due to its excellent electrical properties and relatively high ZT values. However, the…”
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17
Breaking the linear scaling relations in MXene catalysts for efficient CO2 reduction
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (01-02-2022)“…Breaking linear scaling relations by Mo-based bimetal MXenes electrocatalysts for efficient CO2 reduction to CH4. [Display omitted] •CO2 can be selectively…”
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18
Functionalized Mo2B2 MBenes: Promising anchoring and electrocatalysis materials for Lithium-Sulfur battery
Published in Applied surface science (15-11-2021)“…[Display omitted] •High order LiPSs are decomposed by bare Mo2B2 MBene because of the strong bonding.•Surface functionalization on MBene can significantly…”
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Sulfur-Depleted Monolayered Molybdenum Disulfide Nanocrystals for Superelectrochemical Hydrogen Evolution Reaction
Published in ACS nano (27-09-2016)“…Catalytically driven electrochemical hydrogen evolution reaction (HER) of monolayered molybdenum disulfide (MoS2) is usually highly suppressed by the scarcity…”
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M2C-type MXenes: Promising catalysts for CO2 capture and reduction
Published in Applied surface science (15-08-2020)“…[Display omitted] •M2C-type MXenes exhibit excellent CO2 capture abilities.•CO2 can be selectively reduced to CH4 by M2C type MXenes.•Most energy demand in…”
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