The Experts below are selected from a list of 930 Experts worldwide ranked by ideXlab platform
Zhi Zeng - One of the best experts on this subject based on the ideXlab platform.
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The Group VA Element non-compensated n–p codoping in CuGaS2 for intermediate band materials
Solar Energy Materials and Solar Cells, 2016Co-Authors: Miaomiao Han, Xiaoli Zhang, Yongsheng Zhang, Zhi ZengAbstract:Abstract Noncompensated n–p codoping by different Element combinations has proven to be an effective approach to create intermediate bands (IBs) in wide band gap semiconductors. Here, we present a new noncompensated n–p codoping case by simultaneously substitute the cation and anion pair with the same Element, which is implemented by using Group VA Element codoped CuGaS2 systems, within first-principles calculations. The results suggest that the M (N, P, As or Sb) Element substitutional codoping on Ga and S sites will introduce partially filled and isolated IBs in the band gap, and that the optical absorption is enhanced in all of the M codoped systems compared with the host CuGaS2, due to the additional electron transition though IB. However, the stability analysis suggest that only P, As and Sb can enable stable IB material growth, and N will decompose the compound into more stable binary phase. Hence, M (P, As or Sb) codoped CuGaS2 materials are predicted as promising candidates in photovoltaic applications. Besides, the codoping method may also be used in other functional materials to obtain controllable doping.
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the Group VA Element non compensated n p codoping in cugas2 for intermediate band materials
Solar Energy Materials and Solar Cells, 2016Co-Authors: Miaomiao Han, Xiaoli Zhang, Yongsheng Zhang, Zhi ZengAbstract:Abstract Noncompensated n–p codoping by different Element combinations has proven to be an effective approach to create intermediate bands (IBs) in wide band gap semiconductors. Here, we present a new noncompensated n–p codoping case by simultaneously substitute the cation and anion pair with the same Element, which is implemented by using Group VA Element codoped CuGaS2 systems, within first-principles calculations. The results suggest that the M (N, P, As or Sb) Element substitutional codoping on Ga and S sites will introduce partially filled and isolated IBs in the band gap, and that the optical absorption is enhanced in all of the M codoped systems compared with the host CuGaS2, due to the additional electron transition though IB. However, the stability analysis suggest that only P, As and Sb can enable stable IB material growth, and N will decompose the compound into more stable binary phase. Hence, M (P, As or Sb) codoped CuGaS2 materials are predicted as promising candidates in photovoltaic applications. Besides, the codoping method may also be used in other functional materials to obtain controllable doping.
Miaomiao Han - One of the best experts on this subject based on the ideXlab platform.
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The Group VA Element non-compensated n–p codoping in CuGaS2 for intermediate band materials
Solar Energy Materials and Solar Cells, 2016Co-Authors: Miaomiao Han, Xiaoli Zhang, Yongsheng Zhang, Zhi ZengAbstract:Abstract Noncompensated n–p codoping by different Element combinations has proven to be an effective approach to create intermediate bands (IBs) in wide band gap semiconductors. Here, we present a new noncompensated n–p codoping case by simultaneously substitute the cation and anion pair with the same Element, which is implemented by using Group VA Element codoped CuGaS2 systems, within first-principles calculations. The results suggest that the M (N, P, As or Sb) Element substitutional codoping on Ga and S sites will introduce partially filled and isolated IBs in the band gap, and that the optical absorption is enhanced in all of the M codoped systems compared with the host CuGaS2, due to the additional electron transition though IB. However, the stability analysis suggest that only P, As and Sb can enable stable IB material growth, and N will decompose the compound into more stable binary phase. Hence, M (P, As or Sb) codoped CuGaS2 materials are predicted as promising candidates in photovoltaic applications. Besides, the codoping method may also be used in other functional materials to obtain controllable doping.
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the Group VA Element non compensated n p codoping in cugas2 for intermediate band materials
Solar Energy Materials and Solar Cells, 2016Co-Authors: Miaomiao Han, Xiaoli Zhang, Yongsheng Zhang, Zhi ZengAbstract:Abstract Noncompensated n–p codoping by different Element combinations has proven to be an effective approach to create intermediate bands (IBs) in wide band gap semiconductors. Here, we present a new noncompensated n–p codoping case by simultaneously substitute the cation and anion pair with the same Element, which is implemented by using Group VA Element codoped CuGaS2 systems, within first-principles calculations. The results suggest that the M (N, P, As or Sb) Element substitutional codoping on Ga and S sites will introduce partially filled and isolated IBs in the band gap, and that the optical absorption is enhanced in all of the M codoped systems compared with the host CuGaS2, due to the additional electron transition though IB. However, the stability analysis suggest that only P, As and Sb can enable stable IB material growth, and N will decompose the compound into more stable binary phase. Hence, M (P, As or Sb) codoped CuGaS2 materials are predicted as promising candidates in photovoltaic applications. Besides, the codoping method may also be used in other functional materials to obtain controllable doping.
Xiaoli Zhang - One of the best experts on this subject based on the ideXlab platform.
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The Group VA Element non-compensated n–p codoping in CuGaS2 for intermediate band materials
Solar Energy Materials and Solar Cells, 2016Co-Authors: Miaomiao Han, Xiaoli Zhang, Yongsheng Zhang, Zhi ZengAbstract:Abstract Noncompensated n–p codoping by different Element combinations has proven to be an effective approach to create intermediate bands (IBs) in wide band gap semiconductors. Here, we present a new noncompensated n–p codoping case by simultaneously substitute the cation and anion pair with the same Element, which is implemented by using Group VA Element codoped CuGaS2 systems, within first-principles calculations. The results suggest that the M (N, P, As or Sb) Element substitutional codoping on Ga and S sites will introduce partially filled and isolated IBs in the band gap, and that the optical absorption is enhanced in all of the M codoped systems compared with the host CuGaS2, due to the additional electron transition though IB. However, the stability analysis suggest that only P, As and Sb can enable stable IB material growth, and N will decompose the compound into more stable binary phase. Hence, M (P, As or Sb) codoped CuGaS2 materials are predicted as promising candidates in photovoltaic applications. Besides, the codoping method may also be used in other functional materials to obtain controllable doping.
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the Group VA Element non compensated n p codoping in cugas2 for intermediate band materials
Solar Energy Materials and Solar Cells, 2016Co-Authors: Miaomiao Han, Xiaoli Zhang, Yongsheng Zhang, Zhi ZengAbstract:Abstract Noncompensated n–p codoping by different Element combinations has proven to be an effective approach to create intermediate bands (IBs) in wide band gap semiconductors. Here, we present a new noncompensated n–p codoping case by simultaneously substitute the cation and anion pair with the same Element, which is implemented by using Group VA Element codoped CuGaS2 systems, within first-principles calculations. The results suggest that the M (N, P, As or Sb) Element substitutional codoping on Ga and S sites will introduce partially filled and isolated IBs in the band gap, and that the optical absorption is enhanced in all of the M codoped systems compared with the host CuGaS2, due to the additional electron transition though IB. However, the stability analysis suggest that only P, As and Sb can enable stable IB material growth, and N will decompose the compound into more stable binary phase. Hence, M (P, As or Sb) codoped CuGaS2 materials are predicted as promising candidates in photovoltaic applications. Besides, the codoping method may also be used in other functional materials to obtain controllable doping.
Yongsheng Zhang - One of the best experts on this subject based on the ideXlab platform.
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The Group VA Element non-compensated n–p codoping in CuGaS2 for intermediate band materials
Solar Energy Materials and Solar Cells, 2016Co-Authors: Miaomiao Han, Xiaoli Zhang, Yongsheng Zhang, Zhi ZengAbstract:Abstract Noncompensated n–p codoping by different Element combinations has proven to be an effective approach to create intermediate bands (IBs) in wide band gap semiconductors. Here, we present a new noncompensated n–p codoping case by simultaneously substitute the cation and anion pair with the same Element, which is implemented by using Group VA Element codoped CuGaS2 systems, within first-principles calculations. The results suggest that the M (N, P, As or Sb) Element substitutional codoping on Ga and S sites will introduce partially filled and isolated IBs in the band gap, and that the optical absorption is enhanced in all of the M codoped systems compared with the host CuGaS2, due to the additional electron transition though IB. However, the stability analysis suggest that only P, As and Sb can enable stable IB material growth, and N will decompose the compound into more stable binary phase. Hence, M (P, As or Sb) codoped CuGaS2 materials are predicted as promising candidates in photovoltaic applications. Besides, the codoping method may also be used in other functional materials to obtain controllable doping.
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the Group VA Element non compensated n p codoping in cugas2 for intermediate band materials
Solar Energy Materials and Solar Cells, 2016Co-Authors: Miaomiao Han, Xiaoli Zhang, Yongsheng Zhang, Zhi ZengAbstract:Abstract Noncompensated n–p codoping by different Element combinations has proven to be an effective approach to create intermediate bands (IBs) in wide band gap semiconductors. Here, we present a new noncompensated n–p codoping case by simultaneously substitute the cation and anion pair with the same Element, which is implemented by using Group VA Element codoped CuGaS2 systems, within first-principles calculations. The results suggest that the M (N, P, As or Sb) Element substitutional codoping on Ga and S sites will introduce partially filled and isolated IBs in the band gap, and that the optical absorption is enhanced in all of the M codoped systems compared with the host CuGaS2, due to the additional electron transition though IB. However, the stability analysis suggest that only P, As and Sb can enable stable IB material growth, and N will decompose the compound into more stable binary phase. Hence, M (P, As or Sb) codoped CuGaS2 materials are predicted as promising candidates in photovoltaic applications. Besides, the codoping method may also be used in other functional materials to obtain controllable doping.
San-dong Guo - One of the best experts on this subject based on the ideXlab platform.
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Lower lattice thermal conductivity in SbAs than As or Sb monolayers: a first-principles study.
Physical chemistry chemical physics : PCCP, 2017Co-Authors: San-dong Guo, Jiang-tao LiuAbstract:Phonon transport in Group-VA Element (As, Sb and Bi) monolayer semiconductors has been widely investigated in theory, and, of them, monolayer Sb (antimonene) has recently been synthesized. In this work, phonon transport in monolayer SbAs is investigated with a combination of first-principles calculations and the linearized phonon Boltzmann equation. It is found that the lattice thermal conductivity of monolayer SbAs is lower than those of both monolayer As and Sb, and the corresponding sheet thermal conductance is 28.8 W K-1 at room temperature. To understand the lower lattice thermal conductivity in monolayer SbAs than those in monolayer As and Sb, the Group velocities and phonon lifetimes of monolayer As, SbAs and Sb are calculated. The calculated results show that the Group velocities of monolayer SbAs are between those of monolayer As and Sb, but that the phonon lifetimes of SbAs are smaller than those of both monolayer As and Sb. Hence, the low lattice thermal conductivity in monolayer SbAs is attributed to very small phonon lifetimes. Unexpectedly, the ZA branch has very little contribution to the total thermal conductivity, only 2.4%, which is obviously different from those of monolayer As and Sb with very large contributions. This can be explained by very small phonon lifetimes for the ZA branch of monolayer SbAs. The lower lattice thermal conductivity of monolayer SbAs compared to that of monolayer As or Sb can be understood by the alloying of As (Sb) with Sb (As), which should introduce phonon point defect scattering. We also consider the isotope and size effects on the lattice thermal conductivity. It is found that isotope scattering produces a neglectful effect, and the lattice thermal conductivity with a characteristic length smaller than 30 nm can reach a decrease of about 47%. These results may offer perspectives on tuning the lattice thermal conductivity by the mixture of multiple Elements for applications of thermal management and thermoelectricity, and motiVAte further experimental efforts to synthesize monolayer SbAs.
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Strain effects on phonon transport in antimonene investigated using a first-principles study
Physical chemistry chemical physics : PCCP, 2017Co-Authors: Ai-xia Zhang, Jiang-tao Liu, San-dong GuoAbstract:Strain engineering is a very effective method to continuously tune the electronic, topological, optical and thermoelectric properties of materials. In this work, strain-dependent phonon transport of recently-fabricated antimonene (Sb monolayers) under biaxial strain is investigated using a combination of first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation (RTA). It is found that the ZA dispersion of antimonene with strain less than −1% gives imaginary frequencies, which suggests that compressive strain can induce structural instability. Experimentally, it is possible to enhance structural stability by tensile strain. The calculated results show that lattice thermal conductivity increases with strain increasing from −1% to 6%, and lattice thermal conductivity at 6% strain is 5.6 times larger than that at −1% strain at room temperature. It is interesting that lattice thermal conductivity is inversely proportional to the buckling parameter h in a considered strain range. Such a strain dependence of lattice thermal conductivity is attributed to enhanced phonon lifetimes caused by increased strain, while Group velocities have a decreased effect on lattice thermal conductivity with increasing strain. It is found that acoustic branches dominate the lattice thermal conductivity over the full strain range. The cumulative room-temperature lattice thermal conductivity at −1% strain converges to a maximum with the phonon mean free path (MFP) at 50 nm, while that at 6% strain becomes as large as 44 μm, which suggests that strain can give rise to very strong size effects on lattice thermal conductivity in antimonene. Finally, the increased lattice thermal conductivity caused by increasing strain can be explained by a reduced polarized coVAlent bond, inducing weak phonon anharmonicity. These results may provide guidance on fabrication techniques of Group-VA Element (As, Sb, Bi) monolayers, and offer perspectives on tuning lattice thermal conductivity by the size and strain for applications of thermal management and thermoelectricity.
