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- 2019
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Journal article (peer-reviewed)
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- Wang, Bo-Yao, et al.
(author)
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Nonlinear bandgap opening behavior of BN co-doped graphene
- 2016
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In: Carbon. - : Elsevier. - 0008-6223 .- 1873-3891. ; 107, s. 857-864
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Journal article (peer-reviewed)abstract
- We have demonstrated a nonlinear behavior for the bandgap opening of doped graphene by controlling the concentration of B and N co-dopants. X-ray absorption and emission spectra reveal that the bandgap increases from 0 to 0.6 eV as the concentration of BN dopants is increased from 0 to 6%, while the bandgap closes when the doping concentration becomes 56%. This nonlinear behavior of bandgap opening of the BN-doped graphene depending on the BN concentrations is consistent with the valenceband photoemission spectroscopic measurements. The spatially resolved B, N and C K-edge scanning transmission x-ray microscopy and their x-ray absorption near- edge structure spectra all support the scenario of the development of h-BN-like domains at high concentrations of BN. Ab initio calculation, by taking into account of the strong correlation between the bandgap and the geometry/concentration of the dopant, has been performed with various BN-dopant nano-domains embedded in the graphene monolayer to verify the unique bandgap behavior. Based on the experimental measurements and ab initio calculation, we propose the progressive formation of a phase-separated zigzag-edged BN domain from BN quantum dots with increasing BN-dopant concentration to explain the extraordinary nonlinear behavior of bandgap opening of BN-doped graphene sheets. This study reveals a new way to engineer the bandgap of low-dimensional systems.
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- Li, Xin, et al.
(author)
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Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes
- 2016
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In: Applied Physics Letters. - : American Institute of Physics (AIP). - 0003-6951 .- 1077-3118. ; 109:8
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Journal article (peer-reviewed)abstract
- Doping is an efficient way to open the zero band gap of graphene. The control of the dopant domain size allows us to tailor the electronic structure and the properties of the graphene. We have studied the electronic structure of boron nitride doped graphenes with different domain sizes by simulating their near-edge X-ray absorption fine structure (NEXAFS) spectra at the N K-edge. Six different doping configurations (five quantum dot type and one phase-separated zigzag-edged type) were chosen, and N K-edge NEXAFS spectra were calculated with large truncated cluster models by using the density functional theory with hybrid functional and the equivalent core hole approximation. The opening of the band gap as a function of the domain size is revealed. We found that nitrogens in the dopant boundary contribute a weaker, red-shifted pi* peak in the spectra as compared to those in the dopant domain center. The shift is related to the fact that these interfacial nitrogens dominate the lowest conduction band of the system. Upon increasing the domain size, the ratio of interfacial atom decreases, which leads to a blue shift of the pi* peak in the total NEXAFS spectra. The spectral evolution agrees well with experiments measured at different BN-dopant concentrations and approaches to that of a pristine h-BN sheet.
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- Liu, Haifeng, et al.
(author)
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Laser diagnostics and chemical kinetic analysis of PAHs and soot in co-flow partially premixed flames using diesel surrogate and oxygenated additives of n-butanol and DMF
- 2018
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In: Combustion and Flame. - : Elsevier BV. - 0010-2180. ; 188, s. 129-141
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Journal article (peer-reviewed)abstract
- Effects of oxygenated fuels on soot reduction strongly depend on the base fuel. Interesting candidates from oxygenated fuels in this respect include both n-butanol and 2,5-dimethylfuran (DMF), because they have already been used in diesel engines recently. However, information is rather limited on n-butanol and DMF added into a diesel fuel surrogate in fundamental flames to investigate the mechanism of soot reduction. In the current work, both n-butanol and DMF was successively added into diesel surrogate (80% n-heptane and 20% toluene in volume, named as T20) in co-flow partially premixed flames. The effects of different oxygenated structures on polycyclic aromatic hydrocarbons (PAHs) and soot were investigated at the same oxygen weight fractions of 4% and the same volume fractions of 20%. The diagnostics on PAHs, soot volume fractions and soot sizes were conducted by using both laser-induced fluorescence (LIF) and two-color laser-induced incandescence (2C-LII). A combined detailed kinetic model (n-heptane/toluene/butanols/DMF/PAHs) has been obtained in order to clarify the chemical effects of the different oxygenated fuels on PAHs formation. Results show that the reduced toluene content due to the addition of oxygenated fuels is the dominant factor for the reduction of soot, as compared with the base fuel of T20. The oxygenated structure of n-butanol has a higher ability to reduce PAHs and soot as compared with the addition of DMF. This is due to the fact that the consumption of DMF leads to much formation of C5H5 which enhances the formation of PAHs and subsequent soot. However, the formation of PAHs can be inhibited remarkably as blending n-butanol because only small hydrocarbons like C2H2 and C3H3 etc. are formed. The formation rate of A4 is more similar to that of soot in comparison with the smaller ring aromatics. For the size of soot particles, the distribution range is shrunk from 19–70 nm for T20 to 20–40 nm for the addition of oxygenated fuels. As compared to the effects of oxygenated structures, DMF20 presents a little wider distribution on soot sizes than that of B16.8. Some larger soot particles are detected in DMF20 flame but cannot be found in B20 flame.
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- Wen, Wanqing, et al.
(author)
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Genome-wide association studies in East Asians identify new loci for waist-hip ratio and waist circumference
- 2016
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In: Scientific Reports. - : Springer Science and Business Media LLC. - 2045-2322. ; 6
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Journal article (peer-reviewed)abstract
- Sixty genetic loci associated with abdominal obesity, measured by waist circumference (WC) and waist-hip ratio (WHR), have been previously identified, primarily from studies conducted in Europeanancestry populations. We conducted a meta-analysis of associations of abdominal obesity with approximately 2.5 million single nucleotide polymorphisms (SNPs) among 53,052 (for WC) and 48,312 (for WHR) individuals of Asian descent, and replicated 33 selected SNPs among 3,762 to 17,110 additional individuals. We identified four novel loci near the EFEMP1, ADAMTSL3, CNPY2, and GNAS genes that were associated with WC after adjustment for body mass index (BMI); two loci near the NID2 and HLA-DRB5 genes associated with WHR after adjustment for BMI, and three loci near the CEP120, TSC22D2, and SLC22A2 genes associated with WC without adjustment for BMI. Functional enrichment analyses revealed enrichment of corticotropin-releasing hormone signaling, GNRH signaling, and/or CDK5 signaling pathways for those newly-identified loci. Our study provides additional insight on genetic contribution to abdominal obesity.
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