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  • Royal Society of Chemistry (RSC)  (148)
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  • 1
    Online Resource
    Online Resource
    Chiral three-dimensional organic–inorganic lead iodide hybrid semiconductors
    Royal Society of Chemistry (RSC) ; 2024
    In:  Chemical Science Vol. 15, No. 29 ( 2024), p. 11374-11381
    Details
    In: Chemical Science, Royal Society of Chemistry (RSC), Vol. 15, No. 29 ( 2024), p. 11374-11381
    Abstract: Chiral hybrid metal halides (CHMHs) have received a considerable amount of attention in chiroptoelectronics, spintronics, and ferroelectrics due to their superior optoelectrical properties and structural flexibility. Owing to limitations in synthesis, the theoretical prediction of room-temperature stable chiral three-dimensional (3D) CHFClNH 3 PbI 3 has not been successfully prepared, and the optoelectronic properties of such structures cannot be studied. Herein, we have successfully constructed two pairs of chiral 3D lead iodide hybrids ( R / S / Rac -3AEP)Pb 2 I 6 (3R/S/Rac, 3AEP = 3-(1-aminoethyl)pyridin-1-ium) and ( R / S / Rac -2AEP)Pb 2 I 6 (2R/S/Rac, 2AEP = 2-(1-aminoethyl)pyridin-1-ium) through chiral introduction and ortho substitution strategies, and obtained bulk single crystals of 3R/S/Rac. The 3R/S exhibits optical activity and bulk photovoltaic effect induced by chirality. The 3R crystal device exhibits stable circularly polarized light performance at 565 nm with a maximum anisotropy factor of 0.07, responsivity of 0.25 A W −1 , and detectivity of 3.4 × 10 12 jones. This study provides new insights into the synthesis of chiral 3D lead halide hybrids and the development of chiral electronic devices.
    Type of Medium: Online Resource
    ISSN: 2041-6520 , 2041-6539
    URL: Article
    DOI: 10.1039/D4SC00954A
    Language: English
    Publisher: Royal Society of Chemistry (RSC)
    Publication Date: 2024
    detail.hit.zdb_id: 2639733-X
    detail.hit.zdb_id: 2559110-1
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  • 2
    Online Resource
    Online Resource
    The role of halogens in structural diversity and chirality enhancement of 1D chiral hybrid metal halides
    Royal Society of Chemistry (RSC) ; 2024
    In:  Journal of Materials Chemistry C Vol. 12, No. 27 ( 2024), p. 10200-10208
    Details
    In: Journal of Materials Chemistry C, Royal Society of Chemistry (RSC), Vol. 12, No. 27 ( 2024), p. 10200-10208
    Abstract: The impact of halogens on chiral crystal structures and properties has been a significant focus. In this study, we utilize protonated R / S -tetrahydro-2 H -pyran-3-ammonium ( R / S -3ATHP) as an organic cation to synthesize four pairs of one-dimensional (1D) helical chiral hybrid metal halides. The replacement of the halogen anions (X = Cl − , Br − , and I − ) and variation of the cation/anion ratio induce changes in the 1D chain packing mode and helicity of the inorganic components in the crystals. Notably, the Br-based chiral hybrid metal halides exhibit two structures, analogous to the Cl (zigzag, z-) and I (linear, l-) counterparts. Structural variations resulting from halogen adjustments further modulate the chiroptical activity, semiconducting, and photoluminescence properties of the crystals. Particularly noteworthy is the helicity of the [PbX 6 ] octahedral-based chains that is significantly influenced by the asymmetric hydrogen bonding interactions which are determined by the halogens and the number of organic cations. The regular change observed in g CD values: z-( R / S -3ATHP) 3 PbBr 5 〉 z-( R / S -3ATHP) 3 PbCl 5 〉 l-( R / S -3ATHP)PbI 3 〉 l-( R / S -3ATHP)PbBr 3 , is correlated with helicity of the helical 1D chains in the crystals, indicating that more helicity corresponds to stronger chiroptical activity. This work establishes a model system for comprehending the interplay between halogens and structural diversity as well as helicity and chiroptical activity, contributing to a deeper understanding of these relationships in related fields.
    Type of Medium: Online Resource
    ISSN: 2050-7526 , 2050-7534
    URL: Article
    DOI: 10.1039/D4TC01531B
    Language: English
    Publisher: Royal Society of Chemistry (RSC)
    Publication Date: 2024
    detail.hit.zdb_id: 2702245-6
    detail.hit.zdb_id: 2705156-0
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  • 3
    Online Resource
    Online Resource
    Large in-plane anisotropic 2D perovskites toward highly linear polarized light responses
    Royal Society of Chemistry (RSC) ; 2023
    In:  Inorganic Chemistry Frontiers Vol. 10, No. 17 ( 2023), p. 5035-5043
    Details
    In: Inorganic Chemistry Frontiers, Royal Society of Chemistry (RSC), Vol. 10, No. 17 ( 2023), p. 5035-5043
    Abstract: Intrinsic polarization-sensitive materials have achieved booming status in light polarization detection for the merits of direct detection, easy miniaturization, and low manufacturing cost. The promising optoelectronic properties and favorable structure tunability of two-dimensional (2D) perovskites provide valuable supplements for traditional 2D materials in the field of polarization detection. However, almost all polarization-sensitive 2D perovskites depend on hard-to-use out-of-plane anisotropy, and an effective strategy to achieve excellent in-plane anisotropy for polarization detection remains a great challenge. In this work, a pair of 2D chiral perovskites with large structural distortion was constructed by introducing chiral carboxylate amine cations and the unique cationic assembly via strong hydrogen bonding interacts intensely with inorganic sheets to bring about huge in-plane structural anisotropy. Based on the significant in-plane structural and electronic anisotropy, the fabricated device exhibits a high photocurrent anisotropy ratio of up to 8 under 405 nm irradiation. This work enlightens the mechanism of 2D perovskites with large in-plane anisotropy and provides an effective strategy utilizing homochirality to achieve excellent in-plane polarization detection.
    Type of Medium: Online Resource
    ISSN: 2052-1553
    URL: Article
    DOI: 10.1039/D3QI01116J
    Language: English
    Publisher: Royal Society of Chemistry (RSC)
    Publication Date: 2023
    detail.hit.zdb_id: 2757213-4
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  • 4
    Online Resource
    Online Resource
    Ferroic phase transition molecular crystals
    Royal Society of Chemistry (RSC) ; 2022
    In:  CrystEngComm Vol. 24, No. 8 ( 2022), p. 1507-1517
    Details
    In: CrystEngComm, Royal Society of Chemistry (RSC), Vol. 24, No. 8 ( 2022), p. 1507-1517
    Abstract: Ferroic phase transition molecular crystals (FPTMCs), i.e. , ferroelectrics and ferroelastics, are an important family of functional molecular materials, having merits of easy synthesis, structural tunability and flexibility, and biocompatibility. Both the ferroelectricity and ferroelasticity are fundamentally associated with structural phase transitions that account for numerous interesting and important emergent and switching properties. This article highlights the recent developments in the two types of FPTMCs and the current challenges and opportunities.
    Type of Medium: Online Resource
    ISSN: 1466-8033
    URL: Article
    DOI: 10.1039/D2CE00009A
    Language: English
    Publisher: Royal Society of Chemistry (RSC)
    Publication Date: 2022
    detail.hit.zdb_id: 2025075-7
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  • 5
    Online Resource
    Online Resource
    Stable organic lead iodides with three-dimensional crystallographic and electronic structures showing high photoresponse
    Royal Society of Chemistry (RSC) ; 2022
    In:  Inorganic Chemistry Frontiers Vol. 9, No. 24 ( 2022), p. 6404-6411
    Details
    In: Inorganic Chemistry Frontiers, Royal Society of Chemistry (RSC), Vol. 9, No. 24 ( 2022), p. 6404-6411
    Abstract: Motivated by the success of methylammonium lead iodide, substantial efforts have been made to search for moisture- and air-stable metal halide perovskites (MHPs) for various optoelectronic applications. Lowering the structural dimensionality in 2D and quasi-2D MHPs greatly increases the stability, but the simultaneously lowered electronic dimensionality leads to less efficient and large anisotropic charge carrier separation and transport. Herein, we report the construction and characterization of three 3D MHP analogs APb 2 I 6 (A = linear alkyl-diammonium cation) displaying balanced high stability and isotropic photoresponse. Single-crystal-based devices exhibit on/off ratios of photocurrent higher than 1.0 × 10 3 in all three crystallographic directions and ultra-long device stability ( 〉 12 months) at 40% relative humidity. The enhanced stability and quasi-isotropic photoresponse are ascribed to the specific choice of the cations and the genuine 3D electronic dimensionality. This type of 3D MPH analog is expected to be a promising candidate for fabricating high-performance optoelectronic devices.
    Type of Medium: Online Resource
    ISSN: 2052-1553
    URL: Article
    DOI: 10.1039/D2QI01651F
    Language: English
    Publisher: Royal Society of Chemistry (RSC)
    Publication Date: 2022
    detail.hit.zdb_id: 2757213-4
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  • 6
    Online Resource
    Online Resource
    A ferroelastic molecular rotor crystal showing inverse temperature symmetry breaking
    Royal Society of Chemistry (RSC) ; 2021
    In:  Inorganic Chemistry Frontiers Vol. 8, No. 11 ( 2021), p. 2809-2816
    Details
    In: Inorganic Chemistry Frontiers, Royal Society of Chemistry (RSC), Vol. 8, No. 11 ( 2021), p. 2809-2816
    Type of Medium: Online Resource
    ISSN: 2052-1553
    URL: Article
    DOI: 10.1039/D1QI00309G
    Language: English
    Publisher: Royal Society of Chemistry (RSC)
    Publication Date: 2021
    detail.hit.zdb_id: 2757213-4
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  • 7
    Online Resource
    Online Resource
    Accommodating sodium into three-dimensional hosts with a nanoscale sodiophilic layer towards stable pre-stored Na metal anodes
    Royal Society of Chemistry (RSC) ; 2021
    In:  Materials Chemistry Frontiers Vol. 5, No. 18 ( 2021), p. 6987-6997
    Details
    In: Materials Chemistry Frontiers, Royal Society of Chemistry (RSC), Vol. 5, No. 18 ( 2021), p. 6987-6997
    Abstract: Although sodium (Na) metal is a promising anode material for high-energy Na batteries, it is still difficult for it to achieve a long lifespan due to dendrite growth and an unfavorable solid electrolyte interphase (SEI) with sluggish ion transport kinetics. Herein, a facile and mild hydrothermal method is developed to grow vertically aligned ZnO nanosheets on Ni foam, which effectively facilitates uniform thermal infusion and confinement of Na within the three-dimensional (3D) host. In virtue of the large surface area of NF, the local current density can be effectively lowered, which is conductive to uniform Na deposition. More importantly, the products obtained by the reaction between ZnO and Na metal during thermal infusion of Na affect the decomposition of electrolyte, leading to the formation of SEI film with enhanced Na-ion transport property. Electrochemical studies show that the resultant Na-metal/Zn-modified Ni foam composite (Na–Zn-NF) anode can stably cycle for more than 2000 and 550 h at a current density of 1 and 3 mA cm −2 in symmetric cells, respectively. When assembled into full cells against NaTi 2 (PO 4 ) 3 /C (NTP/C) and Na 4 Fe 3 (PO 4 ) 2 (P 2 O 7 )/C (NFPP/C) cathodes, the Na–Zn-NF anode also exhibits excellent cycling stability and stable Coulombic efficiencies. This work provides an effective strategy for simultaneously achieving the enhancement of the surface sodiophilicity of 3D hosts and the optimization of an electrode/electrolyte interphase for stable Na metal anodes.
    Type of Medium: Online Resource
    ISSN: 2052-1537
    URL: Article
    DOI: 10.1039/D1QM00888A
    Language: English
    Publisher: Royal Society of Chemistry (RSC)
    Publication Date: 2021
    detail.hit.zdb_id: 2867881-3
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  • 8
    Online Resource
    Online Resource
    Apatite MAP-3: a new homogeneous and low common lead natural reference for laser in situ U–Pb dating and Nd isotope analysis
    Royal Society of Chemistry (RSC) ; 2023
    In:  Journal of Analytical Atomic Spectrometry Vol. 38, No. 7 ( 2023), p. 1478-1493
    Details
    In: Journal of Analytical Atomic Spectrometry, Royal Society of Chemistry (RSC), Vol. 38, No. 7 ( 2023), p. 1478-1493
    Abstract: Apatite, an important mineral widely distributed in various geological environments, can be used for in situ U–Pb dating and Sr–Nd isotope analyses. The LA-ICPMS U–Pb dating and Sr–Nd isotopic determinations require suitable matrix-matched reference materials. Current apatite standards are rare and have some defects. Most natural apatite references display high and variable common Pb, which may be the most difficult issue in microbeam determination. We provided a gem-quality apatite MAP-3, subjected to detailed major- and trace element composition, U–Pb dating, and Sr–Nd isotopic analyses to assess its homogeneity of chemical composition and suitability as a reference material for microbeam U–Pb dating and Nd isotope analyses. Through comprehensive analyses, we show that the MAP-3 apatite is free of mineral inclusions and is uniform at the level of analytical precision of major- and trace element, U–Pb isotopic, and Nd isotopic ratios despite compositional zones from CL images. The MAP-3 apatite has ID-TIMS determined mean isotopic ratio values of 0.13222 ± 0.00016 for 206 Pb /238 U, 1.2084 ± 0.0030 for 207 Pb /235 U, and 0.0663 ± 0.0001 for 207 Pb /206 Pb and the weighted mean 206 Pb /238 U ages of 800.5 ± 0.9 Ma (2 s, MSWD = 1.5, n = 11). The 143 Nd/ 144 Nd isotopic results determined by (ID)-TIMS are 0.511248 ± 0.000006 (2 s, MSWD = 4.2, n = 11) with moderate Nd contents of ∼1532 ppm. U–Pb age and Nd isotopic compositions obtained by LA-(Q, SF-SC, MC)-ICPMS analysis are reproducible and agree with the values of TIMS, which indicates that MAP-3 apatite has the potential to be a primary reference material for microbeam determination of U–Pb ages and Nd isotope analyses. To validate the effectiveness of the potential, we dated some apatite reference materials of known age and two geological apatites. The results demonstrated the high-quality U–Pb dating reference materials used with MAP-3 apatite.
    Type of Medium: Online Resource
    ISSN: 0267-9477 , 1364-5544
    URL: Article
    DOI: 10.1039/D2JA00405D
    Language: English
    Publisher: Royal Society of Chemistry (RSC)
    Publication Date: 2023
    detail.hit.zdb_id: 1484654-8
    detail.hit.zdb_id: 54176-X
    SSG: 11
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  • 9
    Online Resource
    Online Resource
    Transformer-based deep learning method for optimizing ADMET properties of lead compounds
    Royal Society of Chemistry (RSC) ; 2023
    In:  Physical Chemistry Chemical Physics Vol. 25, No. 3 ( 2023), p. 2377-2385
    Details
    In: Physical Chemistry Chemical Physics, Royal Society of Chemistry (RSC), Vol. 25, No. 3 ( 2023), p. 2377-2385
    Abstract: A successful drug needs to exhibit both effective pharmacodynamics (PD) and safe pharmacokinetics (PK). However, the coordinated optimization of PD and PK properties in molecule generation tasks remains a great challenge for most existing methods, especially when they focus on the pursuit of affinity and selectivity for the lead compound. Thus, molecular optimization for PK properties is a critical step in the drug discovery pipeline, in which absorption, distribution, metabolism, excretion and toxicity (ADMET) property predictive models play an increasingly important role by providing an effective method to assess multiple PK properties of compounds. Here, we proposed a Graph Bert-based ADMET prediction model that achieves state-of-the-art performance on the public dataset Therapeutics Data Commons (TDC) by combining molecular graph features and descriptor features, with 11 tasks ranked first and 20 tasks ranked in the top 3. Based on this prediction model, we trained a Transformer model with multiple properties as constraints for learning the structural transformations involved in MMP and the accompanying property changes. The experimental results show that the trained Constraints-Transformer can implement targeted modifications to the starting molecule, while preserving the core scaffold. Moreover, molecular docking and binding mode analysis demonstrate that the optimized molecules still retain the activity and selectivity for biological targets. Therefore, the proposed method accounts for biological activity and ADMET properties simultaneously. Finally, a webserver containing ADMET property prediction and molecular optimization functions is provided, enabling chemists to improve the properties of starting molecules individually.
    Type of Medium: Online Resource
    ISSN: 1463-9076 , 1463-9084
    URL: Article
    DOI: 10.1039/D2CP05332B
    Language: English
    Publisher: Royal Society of Chemistry (RSC)
    Publication Date: 2023
    detail.hit.zdb_id: 1476244-4
    detail.hit.zdb_id: 1460656-2
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  • 10
    Online Resource
    Online Resource
    Correction: Development and characterisation of acoustofluidic devices using detachable electrodes made from PCB
    Royal Society of Chemistry (RSC) ; 2020
    In:  Lab on a Chip Vol. 20, No. 17 ( 2020), p. 3278-3278
    Details
    In: Lab on a Chip, Royal Society of Chemistry (RSC), Vol. 20, No. 17 ( 2020), p. 3278-3278
    Type of Medium: Online Resource
    ISSN: 1473-0197 , 1473-0189
    URL: Article
    DOI: 10.1039/D0LC90070B
    Language: English
    Publisher: Royal Society of Chemistry (RSC)
    Publication Date: 2020
    detail.hit.zdb_id: 2083768-9
    detail.hit.zdb_id: 2056646-3
    SSG: 12
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