1. XRD patterns of the prepared Mo1-xWxSeTe (0≤x≤0.5) solid solutions
2. Temperature dependent lattice thermal conductivities of Mo1-xWxSeTe (0≤x≤0.5)
3. Powder XRD patterns of the prepared Nb2yMo0.5-yW0.5-ySeTe (0≤y≤0.035) solid solutions
4. Temperature dependence of (a) electrical conductivity s, (b) Seebeck coefficient S and (c) power factor PF of Nb2yMo0.5-yW0.5-ySeTe (0≤y≤0.035) solid solutions with inset in (a) showing the impurity states introduced by the Nb doping.
5. Pisarenko plots for Nb2yMo0.5-yW0.5-ySeTe (0≤y≤0.035) samples compared with the reported data
6. Temperature dependent (a) thermal conductivity κ, (b) lattice thermal conductivity κL and (c) figure of merit ZT for Nb2yMo0.5-yW0.5-ySeTe (0≤y≤0.035) solid solutions
S1. Powder XRD patterns of the prepared Mo1-xWxSeTe (x=0.75 and 1)
S2. SEM fractured surface morphologies of Mo1-xWxSeTe
S3. Temperature dependence of (a, d) electrical conductivity σ, (b, e) Seebeck coefficient S, and (c, f) thermal conductivity κ of Mo1-xWxSeTe solid solutions (0≤x≤0.5) measured along the ⊥P and //P directions
S4. Temperature dependence of (a) electrical conductivity σ, (b) Seebeck coefficient S, (c) power factor PF, (d) thermal conductivity κ, (e) lattice thermal conductivity κL and (f) the ZT values of Nb2yMo0.5-yW0.5-ySeTe (0≤y≤0.035) solid solutions measured along the //P direction
S5. Comparison of thermoelectric properties along ⊥p and //P directions among Nb2yMo0.5-yW0.5-ySeTe solid solutions with y=0.015 and 0.025 as well as Nb0.05Mo0.95SeTe and Ta0.05Mo0.95Se2 in the previous reports
Sample | Actual composition | Lattice parameters/nm | Eg/eV |
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x=0 | MoSe1.02Te1.04 | a=0.35, c=1.367 | 1.030 | x=0.25 | Mo0.74W0.25Se0.9Te0.96 | a=0.3512, c=1.375 | 1.005 | x=0.5 | Mo0.54W0.46Se0.93Te0.94 | a=0.3.5, c=1.371 | 0.998 |
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Table 1. 1 Compositions, cell parameters and optical band gaps of Mo1-xWxSeTe (0≤x≤0.5) solid solutions
Sample | Actual composition | p/(×1020, cm-3) | μ/(cm2·V-1·s-1) | σ/(×104, S·m-1) | S/(μV·K-1) |
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⊥P | //P | ⊥P | //P | ⊥P | //P |
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y=0 | Mo0.54W0.46Se0.93Te0.94 | 0.16 | 0.79 | 0.26 | 0.02 | 0.01 | 22.4 | 42.0 | y=0.005 | Mo0.53W0.47Se0.99Te1.09 | 1.53 | 1.37 | 1.32 | 0.33 | 0.32 | 17.2 | 15.1 | y=0.015 | Nb0.03Mo0.51W0.46Se0.93Te0.96 | 5.96 | 2.95 | 2.52 | 2.82 | 2.40 | 102 | 93.1 | y=0.025 | Nb0.04Mo0.44W0.52Se0.97Te0.95 | 6.61 | 5.45 | 4.80 | 5.76 | 5.07 | 65.9 | 70.9 | y=0.035 | Nb0.05Mo0.51W0.43Se0.90Te0.86 | 7.63 | 5.72 | 4.29 | 6.98 | 5.24 | 53.2 | 52.0 |
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Table 1. Compositions and transport parameters of Nb2yMo0.5-yW0.5-ySeTe (0≤y≤0.035) solid solutions at room temperature
Sample | P0 | P⊥ | LF |
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x=0 | 0.31 | 0.71 | 0.58 | x=0.25 | 0.30 | 0.54 | 0.34 | x=0.5 | 0.29 | 0.45 | 0.23 |
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Table 2. 2 LF factors of Mo1-xWxSeTe (0≤x≤0.5) solid solutions
Sample | Actual composition | Lattice parameters/nm |
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Mo0.5W0.5SeTe | Mo0.54W0.46Se0.93Te0.94 | a=0.350, c=1.371 | Nb0.01Mo0.495W0.495SeTe | Mo0.53W0.47Se0.99Te1.09 | a=0.351, c=1.371 | Nb0.03Mo0.485W0.485SeTe | Nb0.03Mo0.51W0.46Se0.93Te0.96 | a=0.351, c=1.370 | Nb0.05Mo0.475W0.475SeTe | Nb0.04Mo0.44W0.52Se0.97Te0.95 | a=0.352, c=1.371 | Nb0.07Mo0.465W0.465SeTe | Nb0.05Mo0.51W0.43Se0.90Te0.86 | a=0.352, c=1.371 |
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Table 3. 3 Compositions and cell parameters of Nb2yMo0.5-yW0.5-ySeTe (0≤y≤0.035) solid solutions