Promising M2CO2/MoX2 (M = Hf, Zr; X = S, Se, Te) Heterostructures for Multifunctional Solar Energy Applications
Abstract
:1. Introduction
2. Experimental Section
2.1. Computational Details
2.2. Data Analysis
3. Results and Discussion
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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System | Direction | Carrier Type | E1 | C2D | m* | μ |
---|---|---|---|---|---|---|
Hf2CO2/MoS2 | x | e | −10.48 | 428.34 | 1.16 | 41.00 |
h | 2.06 | 428.34 | −0.55 | 4707.47 | ||
y | e | −9.40 | 421.71 | 2.00 | 16.71 | |
h | 1.33 | 421.71 | −0.61 | 9140.34 | ||
Hf2CO2/MoSe2 | x | e | 8.44 | 419.80 | 0.51 | 323.12 |
h | 2.80 | 419.80 | −0.66 | 1743.19 | ||
y | e | 7.63 | 417.61 | 2.09 | 23.01 | |
h | 2.72 | 417.61 | −0.58 | 2393.98 | ||
Hf2CO2/MoTe2 | x | e | 7.94 | 409.12 | 0.56 | 295.46 |
h | −3.75 | 409.12 | −1.30 | 243.67 | ||
y | e | 5.87 | 404.39 | 2.22 | 33.41 | |
h | −1.78 | 404.39 | −0.49 | 7592.80 | ||
Zr2CO2/MoS2 | x | e | −11.47 | 394.34 | 0.80 | 65.10 |
h | 5.21 | 394.34 | −0.72 | 396.73 | ||
y | e | −11.49 | 335.30 | 1.37 | 19.08 | |
h | 2.88 | 335.30 | −0.61 | 1555.99 | ||
Zr2CO2/MoSe2 | x | e | 6.82 | 368.68 | 0.76 | 192.50 |
h | 1.32 | 368.68 | −0.87 | 3928.96 | ||
y | e | 4.43 | 392.74 | 2.68 | 39.24 | |
h | 2.19 | 392.74 | −0.60 | 3227.15 | ||
Zr2CO2/MoTe2 | x | e | 10.55 | 323.53 | 8.85 | 0.52 |
h | −3.29 | 323.53 | −1.64 | 155.33 | ||
y | e | 6.10 | 369.17 | 2.95 | 16.00 | |
h | −3.81 | 369.17 | −0.55 | 1192.02 |
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Wen, J.; Cai, Q.; Xiong, R.; Cui, Z.; Zhang, Y.; He, Z.; Liu, J.; Lin, M.; Wen, C.; Wu, B.; et al. Promising M2CO2/MoX2 (M = Hf, Zr; X = S, Se, Te) Heterostructures for Multifunctional Solar Energy Applications. Molecules 2023, 28, 3525. https://doi.org/10.3390/molecules28083525
Wen J, Cai Q, Xiong R, Cui Z, Zhang Y, He Z, Liu J, Lin M, Wen C, Wu B, et al. Promising M2CO2/MoX2 (M = Hf, Zr; X = S, Se, Te) Heterostructures for Multifunctional Solar Energy Applications. Molecules. 2023; 28(8):3525. https://doi.org/10.3390/molecules28083525
Chicago/Turabian StyleWen, Jiansen, Qi Cai, Rui Xiong, Zhou Cui, Yinggan Zhang, Zhihan He, Junchao Liu, Maohua Lin, Cuilian Wen, Bo Wu, and et al. 2023. "Promising M2CO2/MoX2 (M = Hf, Zr; X = S, Se, Te) Heterostructures for Multifunctional Solar Energy Applications" Molecules 28, no. 8: 3525. https://doi.org/10.3390/molecules28083525