Crystal lattice engineering in a screw-dislocated ZnO nanocone photocatalyst by carbon doping

Louis, Jesna; Padmanabhan, Nisha T.; Jayaraj, M. K.; John, Honey

doi:10.1039/d2ma00098a

Cited by 13 publications

(9 citation statements)

References 48 publications

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“…3b), corresponding to Nb 3d3/2 and 3d5/2, respectively. 33,34 Compared with C-Nb 2 O 5 , the peaks for Nb shifted to a higher binding energy in PdO/C-Nb 2 O 5 , indicating electron donation from Nb to the PdO in PdO/C-Nb 2 O 5 . The O 1s in Nb 2 O 5 could be deconvoluted into two components at 531.4 eV and 529.9 eV, which can be assigned to loosely bound surface adsorbed oxygen species and lattice oxygen bound to Nb 5+ ions in Nb 2 O 5 , respectively (Fig.…”

Section: Characterizations Of Catalystsmentioning

confidence: 99%

Solvent-free aerobic photocatalytic oxidation of C(sp³)–H and C(sp³)–OH to CO bonds

Jiang,

Wang,

Wang

et al. 2024

Green Chem.

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Section: Characterizations Of Catalystsmentioning

confidence: 99%

Solvent-free aerobic photocatalytic oxidation of C(sp³)–H and C(sp³)–OH to CO bonds

Jiang,

Wang,

Wang

et al. 2024

Green Chem.

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“…For MD simulation, all theoretical calculations are conducted using the condensed phase optimized molecular potential (COMPASS) force field studied by atomic simulation. [5] The total energy ET of the system in this force field is represented by the sum of bonded and non bonded interactions: 𝐸 𝑇 = 𝐸 𝑏 + 𝐸 0 + 𝐸 ∅ + 𝐸 𝑙𝑜𝑜𝑝 + 𝐸 𝑝𝑒 + 𝐸 𝑣𝑑𝑤 + 𝐸 𝑞 (1) Bonding interactions are showed as the first five terms, which include the bond energy Eb, bond angle bending energy E0, torsion angle rotation energy EF, out of ring energy Eloop, and potential energy Epe. Non-bonding interactions are represented as the last two terms, which are van der Waals term Evdw and the electrostatic force equation Eq.…”

Section: Simulation Strategies For Epdmmentioning

confidence: 99%

Molecular dynamics simulation study of insulating material for high voltage cable system application

Qiao,

Yan,

et al. 2023

International Conference on Electronic Materials and Information Engineering (EMIE 2023)

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“…The novel passivation agent by mixing solvents was introduced to utilize their functional effect on the nanoparticles such as carbon chain removal (hexane) and diluting hydroxyl groups (IPA). [ 43,44 ] A maximum external quantum efficiency (EQE) of approximately 9.6% was exhibited by the InP QLED with the modified ZMO NPs, which is a 1.3‐fold enhancement from the EQE of the control device (7.2%). The modified device showed 8.5 h of operational lifetime (initial luminance ( L 0 ) = 150 cd m ‐2 , lifetime to 70% of its initial luminance (LT 70 )), exhibiting significant enhancement from the lifetime (28 min, L 0 = 160 cd m ‐2 , LT 70 ) of the control device.…”

Section: Introductionmentioning

confidence: 99%

Modified Zinc Magnesium Oxide for Optimal Charge‐Injection Balance in InP Quantum Dot Light‐Emitting Diodes

Heo

Chang

Shin

et al. 2023

Advanced Optical Materials

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An efficient radiative recombination process in the emission layer is required to develop efficient QLEDs. Further, there are several possible loss mechanisms in QLEDs. Interfacial trap states in charge transporting layers (CTLs), [19][20][21] defect sites on QDs, [22][23][24][25] and charge injection imbalance [7,26] can reduce QLED performance. Non-radiative Auger recombination is considered the primary loss mechanism, which is caused by excess charge injection to QDs. [23,[27][28][29] Efficient and balanced charge injection into the QD emission layer is needed to achieve radiative recombination without severe loss mechanisms. The energy level distribution between the QD and adjacent CTL is critical because larger energy gaps significantly impede the charge transport between layers. QDs produced for light-emission applications have energy bands that are located at deeper sites (valence band level approximately 6.5 eV) compared to those of commercially available CTLs. [23] Hole injection from a hole transport layer (HTL) to an emission layer (EML) has been widely reported to be inefficient owing to energetic misalignment. [30][31][32] Enhancing hole injection into emissive QDs was proposed as the key parameter for balancing charge injection; specifically, this was performed via HTL doping to achieve hole mobility or a double HTL structure for gradient hole injection. [33,34] Balanced charge injection can be achieved by inhibiting electron injection from the electron transport layer (ETL) to the EML. The insertion of an electron injection inhibitor such as poly(methyl methacrylate) (PMMA) at the ETL/EML interface has been shown to suppress the excess electron injection to the QD layer. [7] The ETL can be doped to achieve a lower electron mobility. [35] Zinc oxide (ZnO) nanoparticles (NPs) have been commonly used as an ETL. [4,9,36,37] NPs have facile synthesis processes and stable electrochemical characteristics that are favorable features for electrical applications in optoelectronic devices. [5,38] The conduction band minimum (CBM) of ZnO NPs is similar to that of QDs, which leads to excessive injection of electrons into the QD layer. [26] The excess electron injection can induce nonradiative (Auger) recombination in the emission layer that reduces the device performance and operational stability of QLEDs. [26,39] Mg doping of ZnO has been widely reported to lower the electron mobility in ZnO NP and to suppress the electron injection through the ZnO NP ETL. Notably, Mg-doped ZnO (ZMO) exhibited a decrease in the mobility when the doping concentration of Mg was varied. [40] An Balanced charge injection into the emissive layer is a prerequisite for achieving highly efficient quantum dot light-emitting diodes (QLEDs). The similar energy distribution of charge transport layers and indium phosphide (InP) quantum dots (QDs) facilitates excess electron injection to the InP QD layer. In this study, magnesium-doped ZnO nanoparticles (ZMO NPs) are modified to suppress the electron injection to the InP QD layer. Particula...

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Crystal lattice engineering in a screw-dislocated ZnO nanocone photocatalyst by carbon doping

Abstract: Screw-dislocated crystal growth in ZnO nanocones exposing greater percentage of polar {0001} facets are developed by a tailor-made CTAB-assisted hydrothermal process. A possible formation mechanism of ZnO nanocones with step...

Cited by 13 publications

References 48 publications

Solvent-free aerobic photocatalytic oxidation of C(sp³)–H and C(sp³)–OH to CO bonds

Solvent-free aerobic photocatalytic oxidation of C(sp³)–H and C(sp³)–OH to CO bonds

Molecular dynamics simulation study of insulating material for high voltage cable system application

Modified Zinc Magnesium Oxide for Optimal Charge‐Injection Balance in InP Quantum Dot Light‐Emitting Diodes

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Crystal lattice engineering in a screw-dislocated ZnO nanocone photocatalyst by carbon doping

Abstract: Screw-dislocated crystal growth in ZnO nanocones exposing greater percentage of polar {0001} facets are developed by a tailor-made CTAB-assisted hydrothermal process. A possible formation mechanism of ZnO nanocones with step...

Cited by 13 publications

References 48 publications

Solvent-free aerobic photocatalytic oxidation of C(sp3)–H and C(sp3)–OH to CO bonds

Solvent-free aerobic photocatalytic oxidation of C(sp3)–H and C(sp3)–OH to CO bonds

Molecular dynamics simulation study of insulating material for high voltage cable system application

Modified Zinc Magnesium Oxide for Optimal Charge‐Injection Balance in InP Quantum Dot Light‐Emitting Diodes

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Product

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Solvent-free aerobic photocatalytic oxidation of C(sp³)–H and C(sp³)–OH to CO bonds

Solvent-free aerobic photocatalytic oxidation of C(sp³)–H and C(sp³)–OH to CO bonds