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25 Jun 2012

Volume 100, Issue 26, Articles (26xxxx)

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Appl. Phys. Lett. 100, 261104 (2012); http://dx.doi.org/10.1063/1.4711253 (4 pages)

Marcelo Davanço, Jun Rong Ong, Andrea Bahgat Shehata, Alberto Tosi, Imad Agha, Solomon Assefa, Fengnian Xia, William M. J. Green, Shayan Mookherjea, and Kartik Srinivasan
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Electrochemical cycling reversibility of LiMoS2 using first-principles calculations

Xiaobo Chen, Jinhua He, Deepak Srivastava, and Jun Li

Appl. Phys. Lett. 100, 263901 (2012); http://dx.doi.org/10.1063/1.4731209 (4 pages) | Cited 3 times

Online Publication Date: 26 June 2012

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A static computational model based on chemical hardness is proposed for the prediction and modification of the electrochemical cycling reversibility in Li-ion battery electrode materials. As an example, it is demonstrated that the cycling reversibility of high capacity anode material LiMoS2 is governed by a principle of maximum hardness, which correlates ion rearrangement with the hardness of electron transfer, accompanying the formation of charge density wave. Using the model, we show that the modifications or doping that soften the hardness of electron transfer of MoS2 (e.g., electron-donor doping) can promote Li ion extraction and improve the electrochemical cycling reversibility.
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82.47.Aa Lithium-ion batteries
82.45.Fk Electrodes
82.45.-h Electrochemistry and electrophoresis
71.15.-m Methods of electronic structure calculations
71.45.Lr Charge-density-wave systems

Photon ratchet intermediate band solar cells

M. Yoshida, N. J. Ekins-Daukes, D. J. Farrell, and C. C. Phillips

Appl. Phys. Lett. 100, 263902 (2012); http://dx.doi.org/10.1063/1.4731277 (4 pages) | Cited 1 time

Online Publication Date: 27 June 2012

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In this paper, we propose an innovative concept for solar power conversion—the “photon ratchet” intermediate band solar cell (IBSC)—which may increase the photovoltaic energy conversion efficiency of IBSCs by increasing the lifetime of charge carriers in the intermediate state. The limiting efficiency calculation for this concept shows that the efficiency can be increased by introducing a fast thermal transition of carriers into a non-emissive state. At 1 sun, the introduction of a “ratchet band” results in an increase of efficiency from 46.8% to 48.5%, due to suppression of entropy generation.
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88.40.H- Solar cells (photovoltaics)
72.20.Jv Charge carriers: generation, recombination, lifetime, and trapping

Temperature dependent conductivity of polycrystalline Cu2ZnSnS4 thin films

V. Kosyak, M. A. Karmarkar, and M. A. Scarpulla

Appl. Phys. Lett. 100, 263903 (2012); http://dx.doi.org/10.1063/1.4731875 (5 pages) | Cited 2 times

Online Publication Date: 28 June 2012

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The temperature-dependent conductivity of Cu2ZnSnS4 (CZTS) thin films prepared by sulfurization of different sputtered ZnS/Cu/Sn stacks and also of the same stack annealed for different times was investigated from 30-300 K. Fitting of the through-thickness conductivity requires a model including Mott variable-range hopping (M-VRH), nearest-neighbor hopping (NNH), and thermionic emission over grain boundary (GB) barriers. The GB barrier height varies sensitively from 50–150 (±5) meV with annealing and especially with [Cu]/([Zn] + [Sn]) ratio but is independent of [Zn]/[Sn] ratio. These results are critical for understanding the behavior of solar cells based on polycrystalline CZTS absorber layers.
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73.61.Le Other inorganic semiconductors
81.05.Hd Other semiconductors
81.15.Cd Deposition by sputtering
68.55.ag Semiconductors
61.72.Mm Grain and twin boundaries
73.50.Dn Low-field transport and mobility; piezoresistance
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