Intrinsic defect engineered Janus MoSSe sheet as a promising photocatalyst for water splitting

Xu, Yimin; Yao, Yongsheng; Wang, Yin; Cao, Juexian; Chen, Mingyang; Wei, Xiaolin

doi:10.1039/d0ra00119h

Cited by 28 publications

(23 citation statements)

References 50 publications

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“…However, the adsorption energy can be increased to -0.321 eV if H 2 O adsorbs on the S-vacancy site. [121] This tendency can be found also for NO, NO 2 or other molecules, suggesting a critical role for Se and S/Se vacancies in controlling the sensitivity of MoSSe for molecular adsorption and related gas-sensing applications. Table 4.…”

Section: Gas Sensing Devicesmentioning

confidence: 90%

Recent advances in low-dimensional Janus materials: theoretical and simulation perspectives

et al. 2021

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Section: Gas Sensing Devicesmentioning

confidence: 90%

Recent advances in low-dimensional Janus materials: theoretical and simulation perspectives

et al. 2021

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“…[ 74–76 ] Second, the defects in low‐dimensional compounds can easily migrate to form interstitials due to the broad space of the interlayer or interchain, rather than antisites and substitutions. [ 77,78 ] Third, the crystal framework with high dimensionality facilitates the carrier migration along different orientations. While in the low‐dimensional materials, high anisotropy of carrier mobility and conductivity are hardly negligible.…”

Section: Pb‐free Ns2‐cation‐containing Semiconductors For Optoelectronic Applicationsmentioning

confidence: 99%

Alternative Lone‐Pair ns²‐Cation‐Based Semiconductors beyond Lead Halide Perovskites for Optoelectronic Applications

Luo

Wang

et al. 2021

Advanced Materials

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Lead halide perovskites have emerged in the last decade as advantageous high‐performance optoelectronic semiconductors, and have undergone rapid development for diverse applications such as solar cells, light‐emitting diodes , and photodetectors. While material instability and lead toxicity are still major concerns hindering their commercialization, they offer promising prospects and design principles for developing promising optoelectronic materials. The distinguished optoelectronic properties of lead halide perovskites stem from the Pb2+ cation with a lone‐pair 6s2 electronic configuration embedded in a mixed covalent–ionic bonding lattice. Herein, we summarize alternative Pb‐free semiconductors containing lone‐pair ns2 cations, intending to offer insights for developing potential optoelectronic materials other than lead halide perovskites. We start with the physical underpinning of how the ns2 cations within the material lattice allow for superior optoelectronic properties. We then review the emerging Pb‐free semiconductors containing ns2 cations in terms of structural dimensionality, which is crucial for optoelectronic performance. For each category of materials, the research progresses on crystal structures, electronic/optical properties, device applications, and recent efforts for performance enhancements are overviewed. Finally, the issues hindering the further developments of studied materials are surveyed along with possible strategies to overcome them, which also provides an outlook on the future research in this field.

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“…20 The intrinsic S or Se vacancies will adsorb protons better than the basal planes thereby significantly improving the efficiency of HER on the surfaces of 2D J-MoSSe, as shown by both experiment and theoretical results. 20,25,26 The S or Se vacancies naturally exist on the surfaces of 2D J-MoSSe when prepared by CVD, similar to MoS2 which contains a noticeable fraction of S vacancies when prepared by either mechanical exfoliation or CVD. 27,28 Researchers also demonstrated that adsorbed transition-metals on 2D J-MoSSe will improve the reactant adsorption as well as enlarge the optical absorption range.…”

Section: Introductionmentioning

confidence: 97%

Effects of Vacancy and Ti Doping in 2D Janus MoSSe on Photocatalysis

Zhao

Ren

et al. 2021

J. Phys. Chem. C

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Two-dimensional (2D) Janus transitional metal dichalcogenides (TMDCs) have great potential for photocatalytic water splitting due to their novel properties induced by the unique out-of-plane asymmetric structures. Here, we systematically investigate the geometric, electronic and optical properties of 2D Janus MoSSe with titanium doping and vacancies to explore their synergistic effects on photocatalytic activity. We find that there are effective attractions between the substituted or adsorbed Ti atoms and S/Se vacancies. The Ti adatoms dramatically extend the light absorption range to infrared region. The S/Se vacancies coexisting with Ti adatoms will modulate the transition of photo-excited electrons, thereby enhancing the sunlight absorption. The Ti adatoms either existing alone or coexisting with vacancies introduce smaller lattice distortion compared to substituted Ti atoms and these Ti adatoms induce smaller effective mass of charge carriers. The configuration of S vacancy coexisting with Ti adatoms on Se-surface exhibits the most significant synergistic effects and best overall photocatalytic performance. Our work reveals the mechanism and effects induced by doping and vacancies coexisting in 2D Janus TMDCs, also propose a new practical strategy to improve the performance of 2D photocatalysts.

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Intrinsic defect engineered Janus MoSSe sheet as a promising photocatalyst for water splitting

Abstract: The Janus MoSSe sheet has aroused significant attention due to its band edge position and intrinsic dipole moment, making it a strong candidate for water splitting photocatalysis.

Cited by 28 publications

References 50 publications

Recent advances in low-dimensional Janus materials: theoretical and simulation perspectives

Recent advances in low-dimensional Janus materials: theoretical and simulation perspectives

Alternative Lone‐Pair ns²‐Cation‐Based Semiconductors beyond Lead Halide Perovskites for Optoelectronic Applications

Effects of Vacancy and Ti Doping in 2D Janus MoSSe on Photocatalysis

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Intrinsic defect engineered Janus MoSSe sheet as a promising photocatalyst for water splitting

Abstract: The Janus MoSSe sheet has aroused significant attention due to its band edge position and intrinsic dipole moment, making it a strong candidate for water splitting photocatalysis.

Cited by 28 publications

References 50 publications

Recent advances in low-dimensional Janus materials: theoretical and simulation perspectives

Recent advances in low-dimensional Janus materials: theoretical and simulation perspectives

Alternative Lone‐Pair ns2‐Cation‐Based Semiconductors beyond Lead Halide Perovskites for Optoelectronic Applications

Effects of Vacancy and Ti Doping in 2D Janus MoSSe on Photocatalysis

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Alternative Lone‐Pair ns²‐Cation‐Based Semiconductors beyond Lead Halide Perovskites for Optoelectronic Applications