Study of MoS2 Deposited by ALD on c-Si, Towards the Development of MoS2/c-Si Heterojunction Photovoltaics

Zerbo, Bienlo; Modreanu, M.; Povey, Ian M.; Lin, Jingfeng; Létoublon, Antoine; Rolland, Alain; Pédesseau, Laurent; Even, Jacky; Lépine, Bruno; Turban, Pascal; Schieffer, Philippe; Moréac, Alain; Durand, Olivier

doi:10.3390/cryst12101363

Cited by 2 publications

(2 citation statements)

References 27 publications

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“…[4] The synthesis of MoS 2 had been widely investigated in the past decade, such as Chemical Vapor Deposition (CVD), [5,6] Atomic Layer Deposition (ALD), [7][8][9] and Metal-Organic Chemical Vapor Deposition (MOCVD). [10,11] Compare with metal precursors, Mo-(CO) 6 has a lower evaporation temperature, which is beneficial to the growth of MoS 2 films at low temperatures, and Mo(CO) 6 thermal decomposition by-products have no adverse effects on substrates and samples, so it has been widely applied for the preparation of MoS 2 by ALD [12][13][14][15][16] and MOCVD [17][18][19][20][21][22] methods.…”

Section: Introductionmentioning

confidence: 99%

The Mechanism of Growing MoS₂ via Sulfuration of Molybdenum Hexacarbonyl: First principles study

Yang

Wang

et al. 2023

ChemistrySelect

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Transition metal dichalcogenides (TMDC s ) films are potential two-dimensional materials for next-generation optoelectronic and electronic devices. Chemical Vapor Deposition, Atomic Layer Deposition, and Metal-Organic Chemical Vapor Deposition are usually used for the synthesis of the MoS 2 films by taking Mo(CO) 6 as precursors. However, the mechanism of adsorption and reaction of Mo(CO) 6 on the substrate at the molecular level are hardly to know only by the experiments. In this study, the detailed reactions of Mo(CO) 6 on α-Al 2 O 3 (0001) are investigated by density functional theory to demonstrate the growth mechanism of MoS 2. It is found that, Mo(CO) 6 could form a stable chemical bond with the Al-1 site on the surface, which has large adsorption energy and charge transfer. The decomposition of Mo(CO) 6 into Mo(CO) 3 exists in a clear order, with the top carbonyl composing firstly, follow by the two parallel carbonyls. In order to determine the stable model of Mo(CO) 3 , adsorption energy and DOS are analyzed. The E ad is À 5.65 eV and the 4d5 s orbitals of Mo atom overlap with the 2 s2p orbitals of O atom, indicating the new chemical bond is forming in 3O-Al-2 model. Finally, the LST/QST (Linear Synchronous Transit/Quadratic Synchronous Transit) method is used to search for transition states of Mo(CO) 3 sulfuration reactions with CH 3 S 2 CH 3 , H 2 S, and S 2 respectively. This paper provides a theoretical basis for the experimental preparation of MoS 2 and provides research ideas for the general synthesis of TMDCs.

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Section: Introductionmentioning

confidence: 99%

The Mechanism of Growing MoS₂ via Sulfuration of Molybdenum Hexacarbonyl: First principles study

Yang

Wang

et al. 2023

ChemistrySelect

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“…The platform integrates radiofrequency energy harvesting at micro-and millimeter waves, piezoelectric energy harvesting, and light harvesting, together with energy storage capabilities through integrated pseudo and supercapacitors. Some of the scientific outcomes on the nanomaterials under study have been published elsewhere [17][18][19][20][21][22][23]. While energy harvesting from ambient sources is renewable and, thus, commonly seen as sustainable, the Paris Agreement [24] and the Sustainable Development Goals [25] broaden the meaning of sustainable energy to resource efficiency, bringing recyclability and the innocuity of materials into play.…”

Section: Introductionmentioning

confidence: 99%

Applying the 12 Principles of Green Engineering in Low TRL Electronics: A Case Study of an Energy-Harvesting Platform

Doyle,

Cavero,

Modreanu

2023

Sustainability

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Energy harvesting has been identified as a key enabling technology for the Internet of Things as it allows a battery-less functioning of electronic devices. While the use of ambient sources of energy is commonly seen as sustainable due to their renewable nature, raw material consumption and recyclability need to be assessed to ensure true sustainability. This is especially relevant in electronics, due to their high complexity stemming from the variety of components and materials in their composition. This work presents the case study of the application of the 12 Principles of Green Engineering to an energy-harvesting platform in the early technology development phase. Specifically, the technological areas of design for disassembly, materials for substitution, fabrication efficiency, and manufacturing processes that enable the use of recycled materials have been evaluated. This has allowed us to identify hazardous raw materials and recommend their substitution. Further recommendations include the adoption of mechanical fixtures to fasten lump components. Additional strategies have been identified but their application has been found out of reach of the technology developers, such as the increase in the manufacturing batch size or the inclusion of solvent recycling, which can only be implemented at larger manufacturing scales. Further strategies, such as the use of recycled Si wafers or dry adhesives as fixtures, represent future solutions for the reduction in the environmental impact which require further R&D efforts from different disciplines. This highlights the need for holistic and multidisciplinary research efforts to fully achieve the circular design.

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Study of MoS2 Deposited by ALD on c-Si, Towards the Development of MoS2/c-Si Heterojunction Photovoltaics

Cited by 2 publications

References 27 publications

The Mechanism of Growing MoS₂ via Sulfuration of Molybdenum Hexacarbonyl: First principles study

The Mechanism of Growing MoS₂ via Sulfuration of Molybdenum Hexacarbonyl: First principles study

Applying the 12 Principles of Green Engineering in Low TRL Electronics: A Case Study of an Energy-Harvesting Platform

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Study of MoS2 Deposited by ALD on c-Si, Towards the Development of MoS2/c-Si Heterojunction Photovoltaics

Cited by 2 publications

References 27 publications

The Mechanism of Growing MoS2 via Sulfuration of Molybdenum Hexacarbonyl: First principles study

The Mechanism of Growing MoS2 via Sulfuration of Molybdenum Hexacarbonyl: First principles study

Applying the 12 Principles of Green Engineering in Low TRL Electronics: A Case Study of an Energy-Harvesting Platform

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Product

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The Mechanism of Growing MoS₂ via Sulfuration of Molybdenum Hexacarbonyl: First principles study

The Mechanism of Growing MoS₂ via Sulfuration of Molybdenum Hexacarbonyl: First principles study