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1.
Chem Commun (Camb) ; 60(49): 6276-6279, 2024 Jun 13.
Artículo en Inglés | MEDLINE | ID: mdl-38809134

RESUMEN

A high concentration gel polymer electrolyte (GPE) was prepared by simply using LiFSI-LiNO3 dissolved in 1,3-dioxolane. The Li‖Li cell achieves stable battery cycling for over 3200 h. Furthermore, the Li‖Cu cell demonstrates a high CE of 99.2%. Even at a high current density of 8 mA cm-2, a high CE of 98.5% was still achieved. Notably, in a Li‖LiFePO4 cell, this electrolyte enables high capacity retention of 94.5% and an average CE of 99.8% over 500 cycles, showing promising prospects for high-performance lithium metal batteries.

2.
Phys Chem Chem Phys ; 26(21): 15629-15636, 2024 May 29.
Artículo en Inglés | MEDLINE | ID: mdl-38764382

RESUMEN

Ferroelectricity in two-dimensional (2D) systems generally arises from phonons and has been widely investigated. On the contrary, electronic ferroelectricity in 2D systems has been rarely studied. Using first-principles calculations, the ferroelectric behavior of the buckled blue SiSe monolayer under strain are explored. It is found that the direction of the out-of-plane ferroelectric polarization can be reversed by applying an in-plane strain. And such polarization switching is realized without undergoing geometric inversion. Besides, the strain-triggered polarization reversal emerges in both biaxial and uniaxial strain cases, indicating it is an intrinsic feature of such a system. Further analysis shows that the polarization switching is the result of the reversal of the magnitudes of the positive and negative charge center vectors. And the variation of buckling is found to play an important role, which results in the switch. Moreover, a non-monotonic variation of band gap with strain is revealed. Our findings throws light on the investigation of novel electronic ferroelectric systems.

3.
Front Physiol ; 15: 1345836, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38651047

RESUMEN

Mylabris sibirica is a hypermetamorphic insect whose adults feed on oilseed rape. However, due to a shortage of effective and appropriate endogenous references, studies on molecular functional genes in Mylabris sibirica, have been tremendously limited. In this study, ten internal reference genes (ACT, ARF1, AK, EF1α, GAPDH, α-TUB, RPL6, RPL13, RPS3 and RPS18) were tested and assessed under four selected treatments including adult ages, adult tissues, temperatures, and sex by RT-qPCR based on five methods (Ct value, geNorm, NormFinder, BestKeeper and RefFinder). Our findings showed that RPL6 and RPL13 were the most optimal internal reference gene combination for gene expression during various adult ages and under diverse temperatures; The combination of RPL6 and RPS18 was recommended to test gene transcription levels under different adult tissues. AK and RPL6 were the best reference genes in male and female adults. RPL6 and RPL13 were the most appropriate reference gene pair to estimate gene expression levels under four different tested backgrounds. The relative transcript levels of a uridine diphosphate (UDP)-N-acetylglucosamine-pyrophosphorylase (MsUAP), varied greatly according to normalization with the two most- and least-suited reference genes. This study will lay the basis for further molecular physiology and biochemistry studies in M. sibirica, such as development, reproduction, sex differentiation, cold and heat resistance.

4.
Cancer Discov ; 14(6): 982-993, 2024 Jun 03.
Artículo en Inglés | MEDLINE | ID: mdl-38587856

RESUMEN

Adagrasib, an irreversible, selective KRASG12C inhibitor, may be an effective treatment in KRASG12C-mutated colorectal cancer, particularly when combined with an anti-EGFR antibody. In this analysis of the KRYSTAL-1 trial, patients with previously treated KRASG12C-mutated unresectable or metastatic colorectal cancer received adagrasib (600 mg twice daily) plus cetuximab. The primary endpoint was objective response rate (ORR) by blinded independent central review. Ninety-four patients received adagrasib plus cetuximab. With a median follow-up of 11.9 months, ORR was 34.0%, disease control rate was 85.1%, and median duration of response was 5.8 months (95% confidence interval [CI], 4.2-7.6). Median progression-free survival was 6.9 months (95% CI, 5.7-7.4) and median overall survival was 15.9 months (95% CI, 11.8-18.8). Treatment-related adverse events (TRAEs) occurred in all patients; grade 3-4 in 27.7% and no grade 5. No TRAEs led to adagrasib discontinuation. Exploratory analyses suggest circulating tumor DNA may identify features of response and acquired resistance. SIGNIFICANCE: Adagrasib plus cetuximab demonstrates promising clinical activity and tolerable safety in heavily pretreated patients with unresectable or metastatic KRASG12C-mutated colorectal cancer. These data support a potential new standard of care and highlight the significance of testing and identification of KRASG12C mutations in patients with colorectal cancer. This article is featured in Selected Articles from This Issue, p. 897.


Asunto(s)
Protocolos de Quimioterapia Combinada Antineoplásica , Cetuximab , Neoplasias Colorrectales , Mutación , Proteínas Proto-Oncogénicas p21(ras) , Humanos , Neoplasias Colorrectales/tratamiento farmacológico , Neoplasias Colorrectales/genética , Neoplasias Colorrectales/patología , Cetuximab/administración & dosificación , Cetuximab/efectos adversos , Cetuximab/uso terapéutico , Proteínas Proto-Oncogénicas p21(ras)/genética , Femenino , Masculino , Persona de Mediana Edad , Anciano , Adulto , Anciano de 80 o más Años , Protocolos de Quimioterapia Combinada Antineoplásica/uso terapéutico , Protocolos de Quimioterapia Combinada Antineoplásica/efectos adversos , Pirimidinas/administración & dosificación , Pirimidinas/uso terapéutico , Pirimidinas/efectos adversos , Metástasis de la Neoplasia , Resultado del Tratamiento , Acetonitrilos , Piperazinas
5.
Phys Rev Lett ; 132(13): 137201, 2024 Mar 29.
Artículo en Inglés | MEDLINE | ID: mdl-38613259

RESUMEN

Identifying hidden states in nonlinear physical systems that evade direct experimental detection is important as disturbances and noises can place the system in a hidden state with detrimental consequences. We study a cavity magnonic system whose main physics is photon and magnon Kerr effects. Sweeping a bifurcation parameter in numerical experiments (as would be done in actual experiments) leads to a hysteresis loop with two distinct stable steady states, but analytic calculation gives a third folded steady state "hidden" in the loop, which gives rise to the phenomenon of hidden multistability. We propose an experimentally feasible control method to drive the system into the folded hidden state. We demonstrate, through a ternary cavity magnonic system and a gene regulatory network, that such hidden multistability is in fact quite common. Our findings shed light on hidden dynamical states in nonlinear physical systems which are not directly observable but can present challenges and opportunities in applications.

6.
J Colloid Interface Sci ; 664: 588-595, 2024 Jun 15.
Artículo en Inglés | MEDLINE | ID: mdl-38490034

RESUMEN

Layered manganese-based cathode materials are considered as one of the promising cathodes benefit from inherent low manufacturing cost, non-toxic and high safety in aqueous zinc-ion batteries (AZIBs). However, the sluggish reaction kinetics within layered cathodes is inevitable due to the poor electrical/ionic conductivity. Herein, MnTiO3 is reported as a new cathode material for AZIBs and in-situ induced Mn-defect within MnTiO3 during the first charging is desirable to improve the reaction kinetics to a great extent. Additionally, DFT calculations further demonstrate that MnTiO3 with manganese defects exhibits a uniform charge distribution at the defect sites, enhancing the attraction towards H+ and Zn2+ ions. Furthermore, it performs good cycling stability which can obtain 115 mA h g-1 even at 400 mA g-1 after 450 cycles and the discharge capacity reaches up to 233.8 mAh/g at 100 mA g-1 when Mn-defect MnTiO3 was employed as the cathode. This research could provide a new method for the development and mechanism research of cathode materials for AZIBs.

7.
iScience ; 27(3): 109292, 2024 Mar 15.
Artículo en Inglés | MEDLINE | ID: mdl-38439976

RESUMEN

Understanding and tuning charge transport in molecular junctions is pivotal for crafting molecular devices with tailored functionalities. Here, we report a novel approach to manipulate the absorption configuration within a 4,4'-bipyridine (4,4'-BPY) molecular junction, utilizing the scanning tunneling microscope break junction technique in a concentration-dependent manner. Single-molecule conductance measurements demonstrate that the molecular junctions exhibit a significant concentration dependence, with a transition from high conductance (HC) to low conductance (LC) states as the concentration decreases. Moreover, we identified an additional conductance state in the molecular junctions besides already known HC and LC states. Flicker noise analysis and theoretical calculations provided valuable insights into the underlying charge transport mechanisms and single-molecule absorption configurations concerning varying concentrations. These findings contribute to a fundamental comprehension of charge transport in concentration-dependent molecular junctions. Furthermore, they offer promising prospects for controlling single-molecule adsorption configurations, thereby paving the way for future molecular devices.

8.
J Cancer ; 15(8): 2193-2205, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38495485

RESUMEN

With the development of guidance technology and ablation equipment, ablative procedures have emerged as important loco-regional alternatives to surgical resection for recurrent hepatocellular carcinoma (rHCC) patients. Currently, ablation modalities used in clinical practice mainly include radiofrequency ablation (RFA), microwave ablation (MWA), laser ablation (LA), cryoablation (CRA), high-intensity focused ultrasound (HIFU), and irreversible electroporation (IRE). Accumulated comparative data of ablation versus surgical resection reveal noninferior responses and outcomes but superior adverse effects. Moreover, studies demonstrate that ablation may serve as an excellent procedure for rHCC given its exact minimal invasiveness and immune modulation. We focus on the current status of ablation in clinical practice for rHCC and discuss new research in the field, including ablation combined with these other modalities, such as targeted therapy and immunotherapy.

9.
Nanoscale ; 16(9): 4841-4850, 2024 Feb 29.
Artículo en Inglés | MEDLINE | ID: mdl-38314941

RESUMEN

Two-dimensional van der Waals layered materials have attracted extensive attention in the field of low-dimensional ferroelectricity, on account of their readily delaminated structure and high-density information storage advantages. Here, we report the sliding ferroelectricity and moiré effects on the ferroelectricity in Janus bilayer MoSSe based on first-principles calculations. We focus on the changes of in-plane and out-of-plane polarizations due to sliding, and the calculations demonstrate that the in-plane and out-of-plane polarizations can be switched simultaneously by sliding. In addition, in moiré-twisted bilayer MoSSe, the complex stacking pattern and significant interlayer distance suppress the interlayer charge transfer, and the ferroelectric polarization is effectively suppressed. The polarization in the large-angle twisted structure is small but its direction can be adjusted by changing the twist angle. Our results emphasize the importance of low-dimensional ferroelectrics in van der Waals structures and pave a way for the search of sliding ferroelectric materials, as well as enriching the research on the ferroelectricity of large-angle twisted structures.

10.
Nanomicro Lett ; 16(1): 127, 2024 Feb 21.
Artículo en Inglés | MEDLINE | ID: mdl-38381226

RESUMEN

Polymer solid-state lithium batteries (SSLB) are regarded as a promising energy storage technology to meet growing demand due to their high energy density and safety. Ion conductivity, interface stability and battery assembly process are still the main challenges to hurdle the commercialization of SSLB. As the main component of SSLB, poly(1,3-dioxolane) (PDOL)-based solid polymer electrolytes polymerized in-situ are becoming a promising candidate solid electrolyte, for their high ion conductivity at room temperature, good battery electrochemical performances, and simple assembly process. This review analyzes opportunities and challenges of PDOL electrolytes toward practical application for polymer SSLB. The focuses include exploring the polymerization mechanism of DOL, the performance of PDOL composite electrolytes, and the application of PDOL. Furthermore, we provide a perspective on future research directions that need to be emphasized for commercialization of PDOL-based electrolytes in SSLB. The exploration of these schemes facilitates a comprehensive and profound understanding of PDOL-based polymer electrolyte and provides new research ideas to boost them toward practical application in solid-state batteries.

11.
J Med Genet ; 61(5): 459-468, 2024 Apr 19.
Artículo en Inglés | MEDLINE | ID: mdl-38296632

RESUMEN

BACKGROUND: Townes-Brocks syndrome (TBS) is a rare genetic disorder characterised by multiple malformations. Due to its phenotypic heterogeneity and rarity, diagnosis and recognition of TBS can be challenging and there has been a lack of investigation of patients with atypical TBS in large cohorts and delineation of their phenotypic characteristics. METHODS: We screened SALL1 and DACT1 variants using next-generation sequencing in the China Deafness Genetics Consortium (CDGC) cohort enrolling 20 666 unrelated hearing loss (HL) cases. Comprehensive clinical evaluations were conducted on seven members from a three-generation TBS family. Combining data from previously reported cases, we also provided a landscape of phenotypes and genotypes of patients with TBS. RESULTS: We identified five novel and two reported pathogenic/likely pathogenic (P/LP) SALL1 variants from seven families. Audiological features in patients differed in severity and binaural asymmetry. Moreover, previously undocumented malformations in the middle and inner ear were detected in one patient. By comprehensive clinical evaluations, we further provide evidence for the causal relationship between SALL1 variation and certain endocrine abnormalities. Penetrance analysis within familial contexts revealed incomplete penetrance among first-generation patients with TBS and a higher disease burden among their affected offspring. CONCLUSION: This study presents the first insight of genetic screening for patients with TBS in a large HL cohort. We broadened the phenotypic-genotypic spectrum of TBS and our results supported an underestimated prevalence of TBS. Due to the rarity and phenotypic heterogeneity of rare diseases, broader spectrum molecular tests, especially whole genome sequencing, can improve the situation of underdiagnosis and provide effective recommendations for clinical management.


Asunto(s)
Anomalías Múltiples , Ano Imperforado , Pérdida Auditiva Sensorineural , Pulgar/anomalías , Factores de Transcripción , Humanos , Mutación , Factores de Transcripción/genética , Síndrome , Pérdida Auditiva Sensorineural/diagnóstico , Pérdida Auditiva Sensorineural/genética , Fenotipo , Proteínas Nucleares/genética , Proteínas Adaptadoras Transductoras de Señales/genética
12.
Phys Chem Chem Phys ; 26(5): 4589-4596, 2024 Jan 31.
Artículo en Inglés | MEDLINE | ID: mdl-38250962

RESUMEN

Multivalent-ion batteries have garnered significant attention due to their high energy density, low cost, and superior safety. Calcium-ion batteries (CIBs) are regarded as the next-generation energy storage systems for their abundant natural resources and bivalent characteristics. However, the absence of high-performance anode materials poses a significant obstacle to the progress of battery technology. Two-dimensional (2D) Dirac materials have excellent conductivity and abundant active sites, rendering them promising candidates as anode materials. A novel 2D Dirac material known as "graphene+" has been theoretically reported, exhibiting prominent properties including good stability, exceptional ductility, and remarkable electronic conductivity. By using first-principles calculations, we systematically investigate the performance of graphene+ as an anode material for CIBs. Graphene+ exhibits an ultra-high theoretical capacity (1487.7 mA h g-1), a small diffusion barrier (0.21 eV), and a low average open-circuit voltage (0.51 V). Furthermore, we investigate the impact of the electrolyte solvation on the performance of Ca-ion adsorption and migration. Upon contact with electrolyte solvents, graphene+ exhibits strong adsorption strength and rapid migration of Ca-ions on its surface. These results demonstrate the promising potential of graphene+ as a high-performance anode material for CIBs.

13.
HLA ; 103(1): e15237, 2024 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-37828799

RESUMEN

We report a novel HLA-B*58 allele, now named B*58:141, identified by next-generation sequencing.


Asunto(s)
Genes MHC Clase I , Antígenos HLA-B , Humanos , Alelos , Antígenos HLA-B/genética , Secuenciación de Nucleótidos de Alto Rendimiento
14.
Otolaryngol Head Neck Surg ; 170(3): 877-885, 2024 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-38044484

RESUMEN

OBJECTIVE: This study aimed to comprehensively analyze the relationship between low bone mineral density (BMD) and the risk of benign paroxysmal positional vertigo (BPPV) based on the large prospective population-based UK Biobank (UKB) cohort. STUDY DESIGN: Prospective population-based cohort study. SETTING: The UKB. METHODS: This prospective cohort study included UKB participants recruited between 2006 and 2010 who had information on BMD and did not have BPPV before being diagnosed with low BMD. Univariable and multivariable logistic regression models were constructed to assess the association between low BMD (overall low BMD, osteopenia, and osteoporosis) and BPPV. We further conducted sex and age subgroup analysis, respectively. Finally, the effects of antiosteoporosis and female sex hormone medications on BPPV in participants with osteoporosis were evaluated. RESULTS: In total, 484,303 participants were included in the final analysis, and 985 developed BPPV after a maximum follow-up period of 15 years. Osteoporosis was associated with a higher risk of BPPV (odds ratio [OR] = 1.37, P = .0094), whereas osteopenia was not. Subgroup analyses suggested that the association between osteoporosis and BPPV was significant only in elderly females (≥60 years, OR = 1.51, P = .0007). However, no association was observed between antiosteoporosis or female sex hormone medications and BPPV in the participants with osteoporosis. CONCLUSION: Osteoporosis was associated with a higher risk of developing general BPPV, especially in females aged ≥ 60 years old, whereas osteopenia was not associated with BPPV.


Asunto(s)
Enfermedades Óseas Metabólicas , Osteoporosis , Anciano , Humanos , Femenino , Persona de Mediana Edad , Vértigo Posicional Paroxístico Benigno/complicaciones , Vértigo Posicional Paroxístico Benigno/diagnóstico , Estudios Prospectivos , Densidad Ósea , Estudios de Cohortes , Enfermedades Óseas Metabólicas/complicaciones , Osteoporosis/complicaciones , Hormonas Esteroides Gonadales
15.
Sensors (Basel) ; 23(22)2023 Nov 11.
Artículo en Inglés | MEDLINE | ID: mdl-38005510

RESUMEN

In the context of area coverage tasks in three-dimensional space, unmanned aerial vehicle (UAV) clusters face challenges such as uneven task assignment, low task efficiency, and high energy consumption. This paper proposes an efficient mission planning strategy for UAV clusters in area coverage tasks. First, the area coverage search task is analyzed, and the coverage scheme of the task area is determined. Based on this, the cluster task area is divided into subareas. Then, for the UAV cluster task allocation problem, a step-by-step solution is proposed. Afterward, an improved fuzzy C-clustering algorithm is used to determine the UAV task area. Furthermore, an optimized particle swarm hybrid ant colony (PSOHAC) algorithm is proposed to plan the UAV cluster task path. Finally, the feasibility and superiority of the proposed scheme and improved algorithm are verified by simulation experiments. The simulation results show that the proposed method achieves full coverage of the task area and efficiently completes the task allocation of the UAV cluster. Compared with related comparison algorithms, the method proposed in this paper can achieve a maximum improvement of 21.9% in balanced energy consumption efficiency for UAV cluster task search planning, and the energy efficiency of the UAV cluster can be improved by up to 7.9%.

16.
Opt Express ; 31(21): 34589-34599, 2023 Oct 09.
Artículo en Inglés | MEDLINE | ID: mdl-37859211

RESUMEN

Strain sensors capable of recognizing the direction of strain are crucial in applications such as robot attitude adjustment and detection of strain states in complex structures. In this study, a sandwich-structured flexible biaxial strain sensor was developed using polydimethylsiloxane as the substrate, mechanoluminescent materials as the luminescent elements, and rubber-ink as the light-blocking layer. By correlating the emitted light color with the stretching state, precise identification of the applied strain direction is achieved. Additionally, the mechanoluminescence of the sensor is collected by a photodiode, generating photocurrent that can be analyzed. This provides a solution for practical applications of sensor.

17.
Phys Chem Chem Phys ; 25(40): 27766-27773, 2023 Oct 18.
Artículo en Inglés | MEDLINE | ID: mdl-37814790

RESUMEN

Type-II van der Waals (vdW) heterostructures are regarded as the optimum candidates for unipolar electronic device applications due to their capacity for spontaneous electron-hole separation. Here, we studied the electronic properties of the AlAs/SiC vdW heterostructure via density functional theory calculations. Results show that the conduction band minimum (CBM) and valence band maximum (VBM) of this heterostructure are mainly contributed by different materials, illustrating that the AlAs/SiC heterostructure has a type-II band alignment. Interestingly, this heterostructure possesses flat valence bands near the Fermi level. In addition, under the modulation of external electric field ranging between -1 V Å-1∼0.8 V Å-1, the band gap of the heterostructure can be tuned continuously, while the band structure maintains a stable type-II band alignment with flat top valence bands. When the electric field exceeds -1 or 0.8 V Å-1, the heterostructure transitions from semiconductor material to metal, indicating the tunability of electronic properties under external fields. These results indicate that the AlAs/SiC heterostructure shows great potential for application in high-performance optoelectronic devices and a strong correlation may exist in this system.

18.
BMC Pregnancy Childbirth ; 23(1): 633, 2023 Sep 02.
Artículo en Inglés | MEDLINE | ID: mdl-37660016

RESUMEN

PURPOSE: The impact of body mass index (BMI) on in vitro fertilization (IVF) has been well acknowledged; however, the reported conclusions are still incongruent. This study aimed to investigate the effect of BMI on IVF embryos and fresh transfer clinical outcomes. METHODS: This retrospective cohort analysis included patients who underwent IVF/ICSI treatment and fresh embryo transfer from 2014 to March 2022. Patients were divided into the underweight group: BMI < 18.5 kg/m2; normal group: 18.5 ≤ BMI < 24 kg/m2; overweight group: 24 ≤ BMI < 28 kg/m2; and obesity group: BMI ≥ 28 kg/m2. A generalized linear model was used to analyze the impact of BMI on each IVF outcome used as a continuous variable. RESULTS: A total of 3465 IVF/ICSI cycles in the embryo part; and 1698 fresh embryo transplanted cycles from the clinical part were included. Available embryos rate (61.59% vs. 57.32%, p = 0.007) and blastocyst development rates (77.98% vs. 66.27%, p < 0.001) were higher in the obesity group compared to the normal BMI group. Also, the fertilization rate of IVF cycles in the obesity group was significantly decreased vs. normal BMI group (normal: 62.95% vs. 66.63% p = 0.006; abnormal: 5.43% vs. 7.04%, p = 0.037), while there was no difference in ICSI cycles. The clinical outcomes of overweight and obesity groups were comparable to the normal group. The gestational age of the obesity group was lower compared to the normal group (38.08 ± 1.95 vs. 38.95 ± 1.55, p = 0.011). The adjusted OR (AOR) of BMI for the preterm birth rate of singletons was 1.134 [(95% CI 1.037-1.240), p = 0.006]. BMI was significantly associated with live birth rate after excluded the PCOS patients [AOR: 1.042 (95% CI 1.007-1.078), p = 0.018]. In young age (≤ 35 years), clinical pregnancy rate and live birth rate were positively correlated with BMI, AOR was 1.038 [95% CI (1.001-1.076), p = 0.045] and 1.037 [95% CI (1.002-1.074) p = 0.038] respectively. CONCLUSION: Being overweight and obese was not associated with poor IVF outcomes but could affect blastocyst formation. ICSI could help to avoid low fertilization in obese patients. Also, obesity was associated with increased rates of premature singleton births.


Asunto(s)
Sobrepeso , Nacimiento Prematuro , Recién Nacido , Femenino , Embarazo , Humanos , Adulto , Sobrepeso/complicaciones , Sobrepeso/epidemiología , Estudios Retrospectivos , Obesidad/complicaciones , Obesidad/epidemiología , Fertilización In Vitro
19.
J Phys Chem Lett ; 14(33): 7411-7420, 2023 Aug 24.
Artículo en Inglés | MEDLINE | ID: mdl-37578869

RESUMEN

Covalent organic frameworks (COFs) are promising photocatalysts for water splitting, but their efficiency lags behind that of inorganic counterparts partly due to the limited charge transport and optical absorption properties. To overcome this limitation, we proposed to employ three-dimensional (3D) fully conjugated (FC) COFs with a topological assembly of cyclooctatetraene derivatives for photocatalytic water splitting. On the basis of first-principles calculations, we demonstrated that these 3D FC-COFs are semiconductors with exceptional charge transport and optical absorption properties. The carrier mobilities are comparable to those of inorganic semiconductors and superior to the record mobility observed in two-dimensional COFs. Additionally, the 3D FC-COFs exhibit broad visible light absorption with direct band gaps and high optical absorption coefficients. Among them, two 3D FC-COFs are identified for overall water splitting, while three others can facilitate the hydrogen evolution half-reaction. This study pioneers the design of 3D FC-COF photocatalysts, potentially advancing their applications in photocatalysis and optoelectronics.

20.
J Phys Chem Lett ; 14(33): 7421-7432, 2023 Aug 24.
Artículo en Inglés | MEDLINE | ID: mdl-37578905

RESUMEN

Two-dimensional (2D) covalent organic frameworks (COFs) with versatile structural and optoelectronic properties that can be tuned with building blocks and topological structures have received widespread attention for photocatalytic water splitting in recent years. However, few of these have been reported for overall water splitting under visible light. Here, we present a data-driven search of 2D COFs capable of visible-light-driven overall water splitting by combining high-throughput first-principles computations and experimental validations. Seven 2D COFs were identified to be capable of overall water splitting from the CoRE COF database, and their photocatalytic activities were further verified and optimized by our preliminary experiments. The production rates of H2 and O2 reached 80 and 32 µmol g-1 h-1, respectively, without using sacrificial agents. This work represents an attempt to explore 2D COFs for visible-light-driven overall water splitting with a data-driven approach that could accelerate the discovery and design of COFs toward photocatalytic overall water splitting.

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