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   Articles with "sp3 hybridized" as a keyword



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C568: A new two-dimensional sp2-sp3 hybridized allotrope of carbon

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recommendations! Published in 2020 at "Carbon"

DOI: 10.1016/j.carbon.2019.11.062

Abstract: Abstract Using first-principles calculations, we designed a new two-dimensional sp2−sp3 hybridized allotrope of carbon. This allotrope is made up of 5-6-8 carbon rings thus, known as C568. C568 is an indirect semiconductor with a band… read more here.

Keywords: sp2 sp3; carbon; allotrope; c568 ... See more keywords
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Monitoring the thermally induced transition from sp3-hybridized into sp2-hybridized carbons

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recommendations! Published in 2021 at "Carbon"

DOI: 10.1016/j.carbon.2020.09.063

Abstract: Abstract The preparation of carbons for technical applications is typically based on a treatment of a precursor, which is transformed into the carbon phase with the desired structural properties. During such treatment the material passes… read more here.

Keywords: non graphitic; sp3 hybridized; graphitic carbon; hybridized carbons ... See more keywords

Multicolor carbon dots: Induced by sp2-sp3 hybridized domains and their application in ion detection and WLED

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recommendations! Published in 2021 at "Optical Materials"

DOI: 10.1016/j.optmat.2021.111064

Abstract: Abstract The heteroatom doping to achieve carbon dots has played a crucial part in exploring the fluorescence mechanism of multicolor emissions, which is closely related with the application development of such materials. Herein, a facile… read more here.

Keywords: sp3 hybridized; hybridized domains; carbon dots; multicolor ... See more keywords

sp2/sp3 Hybridized Carbon as an Anode with Extra Li-Ion Storage Capacity: Construction and Origin

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recommendations! Published in 2020 at "ACS Central Science"

DOI: 10.1021/acscentsci.0c00593

Abstract: Doping in carbon anodes can introduce active sites, usually leading to extra capacity in Li-ion batteries (LIBs), but the underlying reasons have not been uncovered deeply. Herein, the dodecahedral carbon framework (N-DF) with a low… read more here.

Keywords: sp2 sp3; carbon; capacity; ion ... See more keywords

Ni-Catalyzed Oxygen Transfer from N2O onto sp3-Hybridized Carbons

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recommendations! Published in 2022 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.2c06227

Abstract: Herein we disclose a catalytic synthesis of cycloalkanols that harnesses the potential of N2O as an oxygen transfer agent onto sp3-hybridized carbons. The protocol is distinguished by its mild conditions and wide substrate scope, thus… read more here.

Keywords: sp3 hybridized; hybridized carbons; oxygen transfer; onto sp3 ... See more keywords

Optical properties of a hexagonal C/BN framework with sp2 and sp3 hybridized bonds

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recommendations! Published in 2020 at "Scientific Reports"

DOI: 10.1038/s41598-020-63693-2

Abstract: We investigated the optical properties and roles of sp2- and sp3-hybridized bonds of a hexagonal C/BN family using first-principles calculations. The calculated phonon dispersions confirm the dynamic stability of Hex-(BN)6C12 and Hex-C12(BN)6. The complex dielectric… read more here.

Keywords: sp2 sp3; optical properties; hybridized bonds; sp3 hybridized ... See more keywords

Silver-mediated formal [4π + 2σ] cycloaddition reactions of bicyclobutanes with nitrile imines: access to 2,3-diazobicyclo[3.1.1]heptenes

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recommendations! Published in 2025 at "Chemical Science"

DOI: 10.1039/d4sc08280j

Abstract: Despite recent advances in the synthesis of aza-bicyclo[3.1.1]heptanes (aza-BCHeps, which have an sp3-hybridized nitrogen atom) and azabicyclo[3.1.1]heptenes (aza-BCHepes, which have an sp2-hybridized nitrogen atom), which are bioisosteres of pyridine, construction of 2,3-diazobicyclo[3.1.1]heptenes (2,3-diazo-BCHepes), which have… read more here.

Keywords: cycloaddition reactions; formal cycloaddition; hybridized nitrogen; reactions bicyclobutanes ... See more keywords

sp2/sp3–Hybridized nitrogen–mediated electrochemical CO2 capture and utilization

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recommendations! Published in 2025 at "Science Advances"

DOI: 10.1126/sciadv.adw6592

Abstract: Electrochemical carbon dioxide (CO2) capture and utilization, powered by renewable energy, are essential to achieving net-zero emissions and CO2 valorization. While remarkable progress has been made in catalysts, solution design, and system engineering, recent breakthroughs… read more here.

Keywords: co2; co2 capture; sp2 sp3; sp3 hybridized ... See more keywords

A New Superhard sp3-Hybridized Carbon Allotrope with Ultrawide Direct Band Gap: Ibca-C64

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recommendations! Published in 2025 at "Materials"

DOI: 10.3390/ma18184316

Abstract: A novel all-sp3-hybridized superhard carbon allotrope, Ibca-C64, is proposed based on first-principles calculations combined with the RG2 (space group and graph theory) structure search method. A systematic investigation of its stability, mechanical properties, and electronic… read more here.

Keywords: ibca c64; carbon allotrope; direct band; sp3 hybridized ... See more keywords