Search Results - "PAN, B. C"
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1
The thermal conductivity of defected copper at finite temperatures
Published in Journal of materials science (01-04-2020)“…Copper-based materials have been selected as heat-sink materials in some nuclear fusion reactors, where a great number of structural defects will be created…”
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2
Structural Features and Electronic Properties of MgO Nanosheets and Nanobelts
Published in Journal of physical chemistry. C (01-11-2012)“…On the basis of first principles calculations, we systematically investigate the structural features, stabilities, and electronic properties of the MgO…”
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3
Outcomes of younger and older patients with palatal cancer undergoing pedicled facial-submental artery island flap reconstruction
Published in International journal of oral and maxillofacial surgery (01-01-2020)“…The purpose of this study was to evaluate the outcomes of younger and older patients with palatal cancer undergoing reconstruction using the pedicled…”
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4
Nature of single vacancy in achiral carbon nanotubes
Published in Physical review letters (12-03-2004)“…We have performed systematic calculations for single vacancies and their related point defects in achiral carbon nanotubes using a tight-binding model. Our…”
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5
Hydrogen storage on calcium-decorated BC7 sheet: A first-principles study
Published in International journal of hydrogen energy (04-02-2014)“…The adsorption behavior of hydrogen molecules on the calcium-decorated BC7 sheet has been investigated using first-principles calculations. Our calculations…”
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6
Dissolving, trapping and detrapping mechanisms of hydrogen in bcc and fcc transition metals
Published in AIP advances (01-01-2013)“…First-principles calculations are performed to investigate the dissolving, trapping and detrapping of H in six bcc (V, Nb, Ta, Cr, Mo, W) and six fcc (Ni, Pd,…”
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7
The role of impurity oxygen in hydrogen bubble nucleation in tungsten
Published in Journal of nuclear materials (01-02-2013)“…► A new impurity assistant mechanism of H bubble nucleation is proposed based on the results of O–H–V interaction. ► The interstitial O atom traps multiple H…”
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8
Principal physical parameters characterizing the interactions between irradiation-induced point defects and several tilt symmetric grain boundaries in Fe, Mo and W
Published in Journal of nuclear materials (01-01-2014)“…Using molecular-statics, we investigate principal physical parameters characterizing the binding of vacancies and interstitials with grain boundaries (GBs),…”
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9
Highly effective removal of heavy metals by polymer-based zirconium phosphate: A case study of lead ion
Published in Journal of colloid and interface science (01-06-2007)“…Zirconium phosphate (ZrP) has recently been demonstrated as an excellent sorbent for heavy metals due to its high selectivity, high thermal stability, and…”
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10
A comparative study on Pb2+, Zn2+ and Cd2+ sorption onto zirconium phosphate supported by a cation exchanger
Published in Journal of hazardous materials (01-04-2008)“…In the present study, a novel hybrid sorbent ZrP-001 was prepared by loading zirconium phosphate (ZrP) onto a strongly acidic cation exchanger D-001. Sorption…”
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11
The behavior of oxygen in liquid lead–bismuth eutectic
Published in Journal of nuclear materials (01-06-2013)“…By performing first principles calculations, we investigate the status and migration behavior of oxygen in liquid lead–bismuth eutectic (LBE). We find that…”
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12
Ab initio molecular dynamics study of temperature dependent structure properties of liquid lead–bismuth eutectic alloy
Published in Physica. B, Condensed matter (15-11-2013)“…Considerable attention has been devoted to liquid lead-bismuth eutectic (LBE) alloy due to its potential application as spallation target and coolant in future…”
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13
Application of an effective method in predicting breakthrough curves of fixed-bed adsorption onto resin adsorbent
Published in Journal of hazardous materials (30-09-2005)“…Removal of many organic pollutants including phenolic compounds from industrial wastewater can always be achieved by fixed-bed adsorption onto the polymeric…”
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14
Role of amination of a polymeric adsorbent on phenol adsorption from aqueous solution
Published in Chemosphere (Oxford) (01-06-2003)“…Adsorption of seven phenols, one aromatic carboxylic acid and one sulfonated aromatic acid from aqueous solution, by a hypercrosslinked polymeric adsorbent…”
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15
Structures, Stability, Vibration Entropy and IR Spectra of Hydrated Calcium Ion Clusters [Ca(H2O) n ]2+ (n = 1−20, 27): A Systematic Investigation by Density Functional Theory
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22-07-2010)“…The low-lying candidates of hydrated calcium ion clusters, [Ca(H2O) n ]2+ with n = 1−20 and 27, have been extensively sought by using density functional theory…”
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16
Adsorption of phenolic compounds from aqueous solution onto a macroporous polymer and its aminated derivative: isotherm analysis
Published in Journal of hazardous materials (20-05-2005)“…Adsorption of phenolic compounds from aqueous solution to a macroporous polymeric adsorbent (CHA-111), its animated derivative (MCH-111) and a reference weakly…”
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17
Modeling synergistic adsorption of phenol/aniline mixtures in the aqueous phase onto porous polymer adsorbents
Published in Journal of colloid and interface science (15-02-2007)“…The adsorption equilibria of phenol and aniline on nonpolar polymer adsorbents (NDA-100, XAD-4, NDA-16 and NDA-1800) were investigated in single- and…”
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18
Structures of WxNy Crystals and Their Intrinsic Properties: First-Principles Calculations
Published in Crystal growth & design (04-04-2018)“…Recent experiments had shown that nitrogen (N) may react with the tungsten (W) atoms at the surface of W-based plasma facing materials (PFM) in a fusion…”
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19
The Structural Features of the Hydrated Ferrous Ion Clusters: [Fe(H2O)n]2+ (n = 1–19)
Published in Journal of cluster science (01-06-2012)“…The low-lying structures of the hydrated ferrous ion clusters [Fe(H 2 O) n ] 2+ ( n = 1–19) were extensively searched at the level of the density functional…”
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20
Electronic structures of an extra Si atom diffusing in the Si(1 1 1)(7 × 7) surface
Published in Surface science (30-12-2005)“…The potential energy surface and the electronic properties for the migration of an extra Si atom in the Si(1 1 1)(7 × 7) surface are studied by performing…”
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