Reply from Y. Lu, C. A. Whiteis, K. A. Sluka, M. W. Chapleau and F. M. Abboud

Lu, Yongjun; Whiteis, Carol A.; Sluka, Kathleen A.; Chapleau, Mark W.; Abboud, François M.

doi:10.1113/jphysiol.2013.256453

Cited by 179 publications

(330 citation statements)

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“…However, further efforts then showed that weak topological phases have robust topological surface states even in the presence of impurities [8][9][10][11][12], and lattice dislocations therein host protected gapless modes that originate from the weak indices [13][14][15][16]. Recently it was also proposed that strong interactions can lead to novel topological orders on the surface of weak TIs [17][18][19]. Most of these theoretical predictions remain untested due to the difficulty of finding materials realizing these weak topological phases [20][21][22], though several candidates have been predicted in ab initio studies [23][24][25][26].…”

Section: Introductionmentioning

confidence: 99%

Space group constraints on weak indices in topological insulators

2017

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Lattice translation symmetry gives rise to a large class of "weak" topological insulators (TIs), characterized by translation-protected gapless surface states and dislocation bound states. In this work we show that space group symmetries lead to constraints on the weak topological indices that define these phases. In particular, we show that screw rotation symmetry enforces the Hall conductivity in planes perpendicular to the screw axis to be quantized in multiples of the screw rank, which generally applies to interacting systems. We further show that certain 3D weak indices associated with quantum spin Hall effects (class AII) are forbidden by the Bravais lattice and by glide or even-fold screw symmetries. These results put strong constraints on weak TI candidates in the experimental and numerical search for topological materials, based on the crystal structure alone.

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Section: Introductionmentioning

confidence: 99%

Space group constraints on weak indices in topological insulators

2017

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“…4 Many approaches such as solvent extraction, 5 ion exchange, 6 chemical precipitation, oxidation-reduction, and adsorption have been proposed to recover gold from e-waste resources. 4 Many approaches such as solvent extraction, 5 ion exchange, 6 chemical precipitation, oxidation-reduction, and adsorption have been proposed to recover gold from e-waste resources.…”

Section: Introductionmentioning

confidence: 99%

Green and efficient synthesis of an adsorbent fiber by preirradiation‐induced grafting of PDMAEMA and its Au(III) adsorption and reduction performance

Liu

Xiao

et al. 2017

J of Applied Polymer Sci

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N,N-Dimethylamino ethyl methacrylate (DMAEMA) is covalently bonded on a commercial polyethylene-coated polypropylene skin-core structure fiber (PE/PP) in aqueous and MeOH/H 2 O solutions by a one-step green reaction using radiation-induced graft polymerization. The effects of the absorbed dose and solvent system on grafting yield are investigated, while the chemical and physical properties of the functionalized fiber are also evaluated. The fiber with a D g of 51.6% exhibited good adsorption capacity of Au(III) ions over a large range of concentrations (from 10 to 2.5 g L 21 ) in both batch and flow-through adsorption tests. The highest capacity of Au was 949.3 mg g 21 . After elution, the adsorbents can be reused without any further regeneration for at least five adsorption-desorption cycles. Additionally, the fibers show high selectivity for Au(III). The distribution coefficient of Au(III) is 10 4 to 10 5 times higher than that for Cu(II), Fe(III), Ni(II), and Pb(II) even at 100 times lower Au(III) concentration compared to the coexisting metal ion concentration. This study provides an effective and novel approach for gold recovery from aqueous solutions.

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“…The structural and electronic properties of silicon oxide clusters have been investigated experimentally 4-10 and theoretically. [11][12][13][14][15][16][17][18][19][20][21][22] Theoretically, in 1995, Fan et al studied Si 3 O 4 − at the Hartree-Fock level using the 6-31+G* basis set. 23 They calculated the vibrational frequency and displacements.…”

Section: Introductionmentioning

confidence: 99%

“…In density functional theory (DFT) calculations, the B3LYP functional had been used by previous researchers for silicon oxide clusters. 12,13,15 Nayak et al studied the atomic and electronic structures of neutral and charged Si n O m clusters (n ≤ 6, m ≤ 12) using the 6-31G** basis set. They compared the vertical and adiabatic electron affinities using MP2 calculations and experimental data for the silicon oxide clusters.…”

Section: Introductionmentioning

confidence: 99%

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Comparisons of the Functional and Basis Set Combinations for Silicon Oxide Clusters: A Density Functional Theory Study

Byun

Kim

Kwon

et al. 2017

Bulletin Korean Chem Soc

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In this study, we evaluate three functionals (B3LYP, PBE, and M06) and 29 basis sets to find a suitable model to calculate silicon oxide clusters using density functional theory. The experimental values of electron affinities and vertical detachment energies of SiO2 and Si2O4 clusters were compared with the calculated ones using combinations of the three functionals and 29 basis sets. The calculated SiO bond lengths and SiOSi angles of Si2O7 cluster were also compared with the experimental values. Our conclusion is that the PBE/DGDZVP model is the best for calculating the structural and electronic properties of silicon oxide clusters.

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Reply from Y. Lu, C. A. Whiteis, K. A. Sluka, M. W. Chapleau and F. M. Abboud

Cited by 179 publications

References 1 publication

Space group constraints on weak indices in topological insulators

Space group constraints on weak indices in topological insulators

Green and efficient synthesis of an adsorbent fiber by preirradiation‐induced grafting of PDMAEMA and its Au(III) adsorption and reduction performance

Comparisons of the Functional and Basis Set Combinations for Silicon Oxide Clusters: A Density Functional Theory Study

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