2015
DOI: 10.1021/acs.chemmater.5b02405
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Influence of Compensating Defect Formation on the Doping Efficiency and Thermoelectric Properties of Cu2-ySe1–xBrx

Abstract: X-ray diffraction data modeling. Powder diffraction patterns were modeled using a small, anorthic unit cell derived from a LP search (TOPAS Academic V4.1). Figure S1 shows the x-ray powder diffraction data of the synthesized Cu2-δSe with the corresponding Pawley fit. A triclinic unit cell with a = 7.082(8) Å, b = 4.121(3) Å, c = 7.121(3) Å, α = 106.1(0), β = 99.1(0)° and γ = 90.1(4)° has been utilized for the fits in order to determine lattice parameters for each composition.

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Cited by 68 publications
(84 citation statements)
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References 58 publications
(112 reference statements)
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“…Substituting Se (VEC Se = 6) with Br (VEC Br = 7) can reduce VECs and minimize holes for electrons to fill out, releasing extra free electrons and reduced n H . Figure b presents n H as a function of the Br‐doping level (Cu 2 Se 1− x Br x ) and shows that n H is dramatically reduced with increasing the Br‐doping level . Similar effect has also been found in the Cl‐doped Cu 2 Se, in which Cl substitutes Se site .…”
Section: Strategies For the Thermoelectric Property Enhancementmentioning
confidence: 55%
See 3 more Smart Citations
“…Substituting Se (VEC Se = 6) with Br (VEC Br = 7) can reduce VECs and minimize holes for electrons to fill out, releasing extra free electrons and reduced n H . Figure b presents n H as a function of the Br‐doping level (Cu 2 Se 1− x Br x ) and shows that n H is dramatically reduced with increasing the Br‐doping level . Similar effect has also been found in the Cl‐doped Cu 2 Se, in which Cl substitutes Se site .…”
Section: Strategies For the Thermoelectric Property Enhancementmentioning
confidence: 55%
“…Figure a schematically illustrates that introducing Cu vacancies can eliminate the contribution of electrons from Cu atoms (enhancing VECs), leading to additional unfilled holes (the dominating carriers of p‐type Cu 2 X, such as Cu 2 Se) and subsequently enhanced n H . Substituting Se (VEC Se = 6) with Br (VEC Br = 7) can reduce VECs and minimize holes for electrons to fill out, releasing extra free electrons and reduced n H . Figure b presents n H as a function of the Br‐doping level (Cu 2 Se 1− x Br x ) and shows that n H is dramatically reduced with increasing the Br‐doping level .…”
Section: Strategies For the Thermoelectric Property Enhancementmentioning
confidence: 99%
See 2 more Smart Citations
“…[217,218] and their compounds, [219,220] have unique characteristics with ordered anion lattice and statistically distributed cation ions, which leads to the intrinsically high μ [221] and low κ due to strong phonon scattering via cation vacancies and disordering. [42] A concept of "phonon-liquid electron-crystal" [42,104] was proposed to explain the ultralow κ and high TE performance of superionic conductors, which provides a new opportunity on decoupling the S, σ, and κ, soonly boosted the research enthusiasm on superionic TE materials and resulted in many encouraging discoveries including high performance room-temperature β-Ag 2 Se, medium temperature β-Cu 2 Se, [48,72,105,195,222,223] etc.…”
Section: Superionic Conductorsmentioning
confidence: 99%