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1.
Sci Rep ; 14(1): 3979, 2024 Feb 17.
Artículo en Inglés | MEDLINE | ID: mdl-38368477

RESUMEN

For state estimation of multi-source asynchronous measurement systems with measurement missing phenomena, this paper proposes a distributed sequential inverse covariance intersection (DSICI) fusion algorithm based on conditional Kalman filtering method. It is mainly divided into synchronized state space module, local filtering module and fusion estimation module. The missing measurements occurring in the system are modelled and described by a set of random variables obeying a Bernoulli distribution. The synchronized state space module uses a state iteration method to synchronize the asynchronous measurement system at the moment of measurement update and it ensures the integrity of the measurement information. The local filtering module uses a conditional Kalman filtering algorithm for filter estimation. The reliability of the local filtering results is guaranteed because the local estimator designs a method to interact information with the domain sensors. The fusion estimation module designs a DSICI fusion algorithm with higher accuracy and satisfying consistency, which fuses the filtering results provided by each sensor when the relevant information between multiple sensors is unknown. Simulation examples demonstrate the excellent performance of the proposed algorithm, with a 33% improvement in accuracy over existing algorithms and an iteration time of less than 3 ms.

2.
Cell Transplant ; 33: 9636897241226849, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-38258759

RESUMEN

Xenotransplantation holds great promise as a solution to address the critical shortage of organs, but it raises concerns regarding the potential transmission of porcine viruses to recipients, leading to infections and even zoonotic diseases. Data used in this review were mainly from literature of Pubmed database. Keywords included xenotransplantation, infection, virus, and epidemiology. The original articles and critical reviews selected were relevant to this review's theme. We review the major viral infections of concern in xenotransplantation, their risk of transmission, diagnosis, treatment, and ways to prevent infection. Then, we pivot to a comprehensive overview of the current status of xenotransplantation. In addition, we offer our own insights and recommendations for propelling xenotransplantation forward, transitioning from preclinical experiments to the critical phase of clinical trials. Viral infections pose considerable safety concerns within xenotransplantation, particularly with the possibility of emerging or currently unidentified viruses. Clinical trials serve as a crucial platform to progress the safety standards of xenotransplantation. However, further studies and dedicated efforts are required to effectively translate findings into practical applications that can improve safety measures in this field.


Asunto(s)
Trasplante Heterólogo , Animales , Porcinos , Bases de Datos Factuales
3.
PLoS Pathog ; 20(1): e1011729, 2024 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-38206983

RESUMEN

Both constitutive and inducible immune mechanisms are employed by hosts for defense against infection. Constitutive immunity allows for a faster response, but it comes with an associated cost that is always present. This trade-off between speed and fitness costs leads to the theoretical prediction that constitutive immunity will be favored where parasite exposure is frequent. We selected populations of Drosophila melanogaster under high parasite pressure from the parasitoid wasp Leptopilina boulardi. With RNA sequencing, we found the evolution of resistance in these populations was associated with them developing constitutively active humoral immunity, mediated by the larval fat body. Furthermore, these evolved populations were also able to induce gene expression in response to infection to a greater level, which indicates an overall more activated humoral immune response to parasitization. The anti-parasitoid immune response also relies on the JAK/STAT signaling pathway being activated in muscles following infection, and this induced response was only seen in populations that had evolved under high parasite pressure. We found that the cytokine Upd3, which induces this JAK/STAT response, is being expressed by immature lamellocytes. Furthermore, these immune cells became constitutively present when populations evolved resistance, potentially explaining why they gained the ability to activate JAK/STAT signaling. Thus, under intense parasitism, populations evolved resistance by increasing both constitutive and induced immune defenses, and there is likely an interplay between these two forms of immunity.


Asunto(s)
Parásitos , Avispas , Animales , Drosophila/genética , Drosophila melanogaster , Interacciones Huésped-Parásitos/genética , Avispas/genética
4.
Opt Express ; 31(23): 38640-38652, 2023 Nov 06.
Artículo en Inglés | MEDLINE | ID: mdl-38017964

RESUMEN

In this paper, we propose a high-security three-dimensional optical transmission system utilizing time-frequency-space interleaving chaos, which simultaneously enhances the reliability and security of the system. The four-wing 3D chaos model encrypts the time-frequency space interleaved modulation domain of a orthogonal time-frequency space (OTFS) modulation signal and the modulated phase information simultaneously, improving the system's security. We also experimentally validate the proposed high-security 3D-OTFS method, utilizing the hexadecimal modulation technique. The modulated OTFS signal achieves a transmission rate of 34.1 Gb/s over a 2-km seven-core fiber link, with the OTFS signal exhibiting a maximum of 1.31 dB receiver sensitivity gain compared to orthogonal frequency division multiplexing (OFDM) signals under the forward error correction threshold of the bit error rate. The achieved keyspace is equal to 5 × 1048. The findings demonstrate that the proposed high-security three-dimensional optical transmission mechanism, based on time-frequency-space interleaved disruption, exhibits excellent anti-interference ability and confidentiality performance. Consequently, it holds promising prospects for future applications in optical communications.

5.
Angew Chem Int Ed Engl ; 62(42): e202311930, 2023 Oct 16.
Artículo en Inglés | MEDLINE | ID: mdl-37665223

RESUMEN

Cation-disordered Rocksalt oxides (DRXs) are a promising new class of cathode materials for Li-ion batteries due to their natural abundance, low cost and great electrochemical performance. High entropy strategy in Mn-based DRXs appears to be an effective strategy for improving the rate capability, but it suffers from challenges including capacity degradation. The present paper reports a new group of high entropy DRXs (HE DRX) based on Ni2+ -Nb5+ pair; the structural and chemical evolution upon cycling of DRXs with an increasing transition metal (TM) species are systematically investigated. An explanation is proposed for how the crystal field stability energy determines that HE DRX could exist in single Rocksalt solid solution structures. We further reveal that the charge compensation mechanism in HE DRX is the result of various TM synergistic effect. More importantly, through various in situ and ex situ techniques and theoretical calculation, the effective integration of more TM cation species within the HE DRX framework promotes better Li+ diffusion and improves lattice oxygen stability, consequently increasing capacity upon cycling.

6.
Proc Natl Acad Sci U S A ; 120(33): e2211019120, 2023 08 15.
Artículo en Inglés | MEDLINE | ID: mdl-37552757

RESUMEN

Polymorphisms in immunity genes can have large effects on susceptibility to infection. To understand the origins of this variation, we have investigated the genetic basis of resistance to the parasitoid wasp Leptopilina boulardi in Drosophila melanogaster. We found that increased expression of the gene lectin-24A after infection by parasitic wasps was associated with a faster cellular immune response and greatly increased rates of killing the parasite. lectin-24A encodes a protein that is strongly up-regulated in the fat body after infection and localizes to the surface of the parasite egg. In certain susceptible lines, a deletion upstream of the lectin-24A has largely abolished expression. Other mutations predicted to abolish the function of this gene have arisen recurrently in this gene, with multiple loss-of-expression alleles and premature stop codons segregating in natural populations. The frequency of these alleles varies greatly geographically, and in some southern African populations, natural selection has driven them near to fixation. We conclude that natural selection has favored the repeated loss of an important component of the immune system, suggesting that in some populations, a pleiotropic cost to lectin-24A expression outweighs the benefits of resistance.


Asunto(s)
Parásitos , Avispas , Animales , Drosophila/genética , Drosophila melanogaster/genética , Interacciones Huésped-Parásitos , Avispas/fisiología , Lectinas/genética , Selección Genética
7.
Rev Sci Instrum ; 94(7)2023 Jul 01.
Artículo en Inglés | MEDLINE | ID: mdl-37462458

RESUMEN

The Efimov effect and its universal property are of paramount importance in quantum few-body physics. Despite this, the predicted ground state Efimov resonance has not yet been observed in 39,40,41K-87Rb mixtures within the currently available observation window. Cooling atoms in the microgravity environment of outer space might overcome this limitation, whereas the residual curvature of the strong magnetic fields may result in significant atom leakage. In this work, we propose an optical method based on far-detuned time-averaged dipole potential to counteract the three-dimensional inhomogeneous field. The target intensity distribution can be conveniently obtained by modulating the central position of the quasi-1D print beam using acoustic optical modulators. Within a volume of 300 × 300 × 400 µm3, the residual potential fluctuations can be reduced by two orders of magnitude to less than 100 pK. The proposed approach offers a realistic prospect of investigating the Efimov-type resonance in the 40K-87Rb Bose-Fermi mixture.

8.
Opt Express ; 31(15): 24952-24963, 2023 Jul 17.
Artículo en Inglés | MEDLINE | ID: mdl-37475310

RESUMEN

The suppression of the crosstalk in a CMOS THz detector is essential for enhancing the performance of detector arrays; however, it presents several technical challenges at the chip level. In this paper, a novel structure featuring a mushroom-like artificial magnetic conductor (M-AMC) is developed to suppress the crosstalk between CMOS THz detectors with on-chip antennas. Three-dimensional simulation results show that the M-AMC structure, which is designed by metal Al and doped-Si materials in the CMOS process, not only reduces the transmission coefficient of the electromagnetic wave between adjacent pixels but also enhances the electric field of the target pixels. A 0.65 THz detector array with a M-AMC structure based on the on-chip antenna was fabricated. Experimental results present that after implanting the M-AMC structure, the noise equivalent power (NEP) at the central frequency of pixels significantly decreases by 315.5%. Moreover, the distribution of NEP becomes more uniform, as evidenced by a reduction in the standard deviation coefficient of 26.3%. This demonstrates the effectiveness of the method in suppressing crosstalk and improving the responsivity of CMOS THz detectors, which can be used for high-performance THz detector arrays.

9.
Carbohydr Polym ; 317: 121086, 2023 Oct 01.
Artículo en Inglés | MEDLINE | ID: mdl-37364956

RESUMEN

Demyelination is a serious complication of neurological disorders, which can be reversed by oligodendrocyte precursor cell (OPC) as the available source of myelination. Chondroitin sulfate (CS) plays key roles in neurological disorders, which still attracted less attention on how CS modulates the fate of OPCs. Nanoparticle coupled with glycoprobe is a potential strategy for investigating the carbohydrate-protein interaction. However, there is lack of CS-based glycoprobe with enough chain length that interact with protein effectively. Herein, we designed a responsive delivery system, in which CS was the target molecule, and cellulose nanocrystal (CNC) was the penetrative nanocarrier. A coumarin derivative (B) was conjugated at the reducing end of an unanimal-sourced chondroitin tetrasaccharide (4mer). This glycoprobe (4B) was grafted to the surface of a rod-like nanocarrier, which had a crystalline core and a poly(ethylene glycol) shell. This glycosylated nanoparticle (N4B-P) displayed a uniform size, improved water-solubility, and responsive release of glycoprobe. N4B-P displayed strong green fluorescence and good cell-compatibility, which imaged well the neural cells including astrocytes and OPCs. Interestingly, both of glycoprobe and N4B-P were internalized selectively by OPCs when they were incubated in astrocytes/OPCs mixtures. This rod-like nanoparticle would be a potential probe for studying carbohydrate-protein interaction in OPCs.


Asunto(s)
Nanopartículas , Células Precursoras de Oligodendrocitos , Oligodendroglía/metabolismo , Diferenciación Celular , Celulosa/farmacología , Celulosa/metabolismo , Sulfatos de Condroitina/metabolismo
10.
ACS Appl Mater Interfaces ; 15(25): 30152-30160, 2023 Jun 28.
Artículo en Inglés | MEDLINE | ID: mdl-37322853

RESUMEN

The practical application of lithium-sulfur batteries (LSBs) is still hindered by several technical issues, including severe polysulfide shuttling and sluggish redox kinetics, which reduces the sulfur utilization and further results in low energy density. Herein, amorphous-crystalline heterostructured MnO2 (ACM) prepared through a simple calcination process was employed as the functional interlayer to play a double role as effective trapper and multifunctional electrocatalyst for LSBs. ACM not only combines the strong sulfur chemisorption of the amorphous MnO2 (AM) and fast Li+ transportation of the crystalline MnO2(CM) but also accelerates the interface charge transfer at the amorphous/crystalline interfaces. The LSBs with such unique interlayer exhibited an excellent rate performance of 1155.5 mAh·g-1 at 0.2 C and 692.9 mAh·g-1 at 3 C and a low decay rate of 0.071% per cycle over 500 cycles at 0.5 C. Even for a high sulfur loading of 5 mg·cm-2 at 0.1 C, a high capacity retention of 92.3% could also be achieved after 100 cycles. The concept of amorphous-crystalline heterostructures prepared by crystallization regulation might also be used for other electronic devices and catalyst designs.

11.
Membranes (Basel) ; 13(4)2023 Mar 23.
Artículo en Inglés | MEDLINE | ID: mdl-37103796

RESUMEN

Photo-Fenton coupled with membrane (photo-Fenton-membrane) technology offers great potential benefits in future wastewater treatment because it can not only degrade refractory organics, but also separate different pollutants from water; additionally, it often has a membrane-self-cleaning ability. In this review, three key factors of photo-Fenton-membrane technology, photo-Fenton catalysts, membrane materials and reactor configuration, are presented. Fe-based photo-Fenton catalysts include zero-valent iron, iron oxides, Fe-metal oxides composites and Fe-based metal-organic frameworks. Non-Fe-based photo-Fenton catalysts are related to other metallic compounds and carbon-based materials. Polymeric and ceramic membranes used in photo-Fenton-membrane technology are discussed. Additionally, two kinds of reactor configurations, immobilized reactor and suspension reactor, are introduced. Moreover, we summarize the applications of photo-Fenton-membrane technology in wastewater, such as separation and degradation of pollutants, removal of Cr(VI) and disinfection. In the last section, the future prospects of photo-Fenton-membrane technology are discussed.

12.
Mar Environ Res ; 186: 105938, 2023 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-36870161

RESUMEN

Progestins in aquatic environments are of increasing concern, as shown by the results of toxicological studies on adult invertebrates with external fertilization. However, their potential effects on the gametes and reproductive success of such animals remain largely unknown. Thus, the current study assessed the effect of in vitro exposure of environmentally relevant concentrations (10 ng/L and 1000 ng/L) of norgestrel (NGT) on the sperm of Pacific oyster Crassostrea gigas, analyzing sperm motility, ultrastructure, mitochondrial function, ATP status, characteristic enzyme activities, and DNA integrity underlying fertilization and hatching success. The results showed that NGT increased the percentage of motile sperm by elevating intracellular Ca2+ levels, Ca2+-ATPase activity, creatine kinase activity, and ATP content. Although superoxide dismutase activity was enhanced to eliminate reactive oxygen species generated by NGT, oxidative stress occurred, as indicated by the increase in malonaldehyde content and damage to plasma membranes and DNA. As a consequence, fertilization rates decreased. However, hatching rates did not alter significantly, possibly as a result of DNA repair processes. This study demonstrates oyster sperm as a useful, sensitive tool for toxicological research of progestins and provides ecologically relevant information on reproductive disturbance in oysters resulting from exposure to NGT.


Asunto(s)
Crassostrea , Animales , Masculino , Crassostrea/fisiología , Norgestrel/metabolismo , Norgestrel/farmacología , Progestinas/metabolismo , Progestinas/farmacología , Motilidad Espermática/fisiología , Semen , Espermatozoides/fisiología , Adenosina Trifosfato/metabolismo , Adenosina Trifosfato/farmacología
13.
Materials (Basel) ; 16(3)2023 Jan 28.
Artículo en Inglés | MEDLINE | ID: mdl-36770136

RESUMEN

With the size of electronic devices shrinking to the nanometer scale, it is of great importance to develope new wire materials with higher current carrying capacity than traditional materials such as gold (Au) and copper (Cu). This is urgently needed for more efficient, compact and functional integrated chips and microsystems. To meet the needs of an atom chip, here we report a new solution by introducing super-aligned carbon nanotubes (SACNTs) into Cu thin films. The microwires exhibit an ultra-high current carrying capacity beyond the limit of the traditional Cu wires, reaching (1.7~2.6) × 107 A·cm-2. The first-principles calculation is used to obtain the band structural characteristics of the CNT-Cu composite material, and the principle of its I-V characteristic curve is analyzed. Driven by the bias voltage, a large number of carriers are injected into the CNT layer from Cu by the strong tunneling effect. Moreover, a variety of microwires can be designed and fabricated on demand for high compatibility with conventional microelectronics technology. The composite structures have great potential in high-power electronic devices, high-performance on-chip interconnecting, as well as other applications that have long-term high-current demands, in addition to atom chips.

14.
Angew Chem Int Ed Engl ; 62(17): e202218478, 2023 Apr 17.
Artículo en Inglés | MEDLINE | ID: mdl-36789747

RESUMEN

Typical wide-band gap cathode interlayer materials are difficulty in reducing interface recombination without limiting charge transport in perovskite solar cells (PSCs). Here, a lead-doped titanium-oxo cluster protected by S-containing ligands is introduced at the interface of perovskite and SnO2 . By in situ heating, the cluster is transformed into PbSO4 -PbTi3 O7 heterostructure. The oxygen atoms from sulfate ion in heterostructure connect with iodine from perovskite to boost interfacial electron extraction and reduce charge recombination. While the yielded metallic interface between PbSO4 and PbTi3 O7 promotes the electron transport across the interface. Finally, an efficiency as high as 24.2 % for the modified PSC is obtained. The heterostructure well-stabilize the interface of perovskite and SnO2 , to greatly improve the device stability. This work provides a novel strategy to prepare wide-band gap cathode interlayer by directional transformation of heterometallic oxo clusters.

15.
Sensors (Basel) ; 23(2)2023 Jan 07.
Artículo en Inglés | MEDLINE | ID: mdl-36679495

RESUMEN

For the state estimation problem of a multi-source localization nonlinear system with unknown and bounded noise, a distributed sequential ellipsoidal intersection fusion estimation algorithm based on the dual set-membership filtering method is proposed to ensure the reliability of the localization system. First, noise with unknown and bounded characteristics is modeled by using bounded ellipsoidal regions. At the same time, local estimators are designed at the sensor link nodes to filter out the noise interference in the localization system. The local estimator is designed using the dual set-membership filtering algorithm. It uses the dual principle to find the minimizing ellipsoid that can contain the nonlinear function by solving the optimization problem with semi-infinite constraints, and a first-order conditional gradient algorithm is used to solve the optimization problem with a low computational complexity. Meanwhile, the communication confusion among multiple sensors causes the problem of unknown correlation. The obtained estimates of local filters are fused at the fusion center by designing a distributed sequential ellipsoid intersection fusion estimation algorithm to obtain more accurate fusion localization results with lower computational cost. Finally, the stability and reliability of the proposed distributed fusion algorithm are verified by designing a simulation example of a multi-source nonlinear system.


Asunto(s)
Algoritmos , Comunicación , Reproducibilidad de los Resultados , Simulación por Computador , Registros
16.
PLoS Genet ; 18(11): e1010453, 2022 11.
Artículo en Inglés | MEDLINE | ID: mdl-36342922

RESUMEN

When an animal is infected, the expression of a large suite of genes is changed, resulting in an immune response that can defend the host. Despite much evidence that the sequence of proteins in the immune system can evolve rapidly, the evolution of gene expression is comparatively poorly understood. We therefore investigated the transcriptional response to parasitoid wasp infection in Drosophila simulans and D. sechellia. Although these species are closely related, there has been a large scale divergence in the expression of immune-responsive genes in their two main immune tissues, the fat body and hemocytes. Many genes, including those encoding molecules that directly kill pathogens, have cis regulatory changes, frequently resulting in large differences in their expression in the two species. However, these changes in cis regulation overwhelmingly affected gene expression in immune-challenged and uninfected animals alike. Divergence in the response to infection was controlled in trans. We argue that altering trans-regulatory factors, such as signalling pathways or immune modulators, may allow natural selection to alter the expression of large numbers of immune-responsive genes in a coordinated fashion.


Asunto(s)
Proteínas de Drosophila , Drosophila , Animales , Drosophila/genética , Evolución Molecular , Especificidad de la Especie , Proteínas de Drosophila/genética , Inmunidad
17.
Sensors (Basel) ; 22(11)2022 Jun 06.
Artículo en Inglés | MEDLINE | ID: mdl-35684925

RESUMEN

This paper investigates the problem of distributed ellipsoidal intersection (DEI) fusion estimation for linear time-varying multi-sensor complex systems with unknown input disturbances and measurement data transmission delays. For the problem with external unknown input disturbance signals, a non-informative prior distribution is used to model the problem. A set of independent random variables obeying Bernoulli distribution is also used to describe the situation of measurement data transmission delay caused by network channel congestion, and appropriate buffer areas are added at the link nodes to retrieve the delayed transmission data values. For multi-sensor systems with complex situations, a minimum mean square error (MMSE) local estimator is designed in a Bayesian framework based on the maximum a posteriori (MAP) estimation criterion. In order to deal with the unknown correlations among the local estimators and to select the fusion estimator with lower computational complexity, the fusion estimator is designed using ellipsoidal intersection (EI) fusion technique, and the consistency of the estimator is demonstrated. In this paper, the difference between DEI fusion and distributed covariance intersection (DCI) fusion and centralized fusion estimation is analyzed by a numerical example, and the superiority of the DEI fusion method is demonstrated.

18.
ChemSusChem ; 14(24): 5499-5507, 2021 Dec 17.
Artículo en Inglés | MEDLINE | ID: mdl-34648234

RESUMEN

Electrolysis of seawater can be a promising technology, but chloride ions in seawater can lead to adverse side reactions and the corrosion of electrodes. A new transition metal boride-based self-supported electrocatalyst was prepared for efficient seawater electrolysis by directly soaking nickel foam (NF) in a mixture of phenolic resin (PR) and boron carbide (B4 C), followed by an 800 °C annealing. During PR carbonization process, the reaction of B4 C and NF generated nickel boride (Nix B) with high catalytic activity, while PR-derived carbon coating was doped with boron atoms from B4 C (B-CPR ). The B-CPR coating fixed Nix B/B4 C particles in the frames and holes to improve the space utilization of NF. Meanwhile, the B-CPR coating effectively protected the catalyst from the corrosion by seawater and facilitates the transport of electrons. The optimal Nix B/B4 C/B-CPR /NF required 1.50 and 1.58 V to deliver 100 and 500 mA cm-2 , respectively, in alkaline natural seawater for the oxygen evolution reaction.

19.
Diabetes Metab Syndr Obes ; 14: 3229-3241, 2021.
Artículo en Inglés | MEDLINE | ID: mdl-34285530

RESUMEN

PURPOSE: To examine the pharmacological effects of Qihu on type 2 diabetes mellitus using db/db mice. MATERIALS AND METHODS: Thirty-seven db/db mice were randomly divided into the following 5 groups: diabetes model control group (DM group; n = 7), administered with the adjuvant 0.3% carboxymethyl cellulose-Na; positive control group (Met group; n = 8), administered with metformin (0.13 g/kg bodyweight); Qihu-L group (n = 7), administered with a low dose of Qihu (0.75 g/kg bodyweight), Qihu-M group (n = 7), administered with a medium dose of Qihu (1.5 g/kg bodyweight); Qihu-H group (n = 8), administered with a high dose of Qihu (3.0 g/kg bodyweight). BKS mice (n = 8) were used as the negative control group. The db/db mice were administered with drugs through oral gavage for 28 days. The random blood glucose levels, glucose tolerance test, bodyweight, food intake, and blood lipid levels of the mice were measured during the experimental period. The liver and pancreas tissues were collected for pathological, quantitative real-time polymerase chain reaction, and Western blotting analyses. RESULTS: Compared with the DM group, the Qihu groups exhibited decreased bodyweight gain. The blood glucose levels in the Qihu-L, Qihu-M, and Qihu-H were 31.46%, 43.73%, and 51.83%, respectively, lower than those in the DM group. The triglyceride levels were significantly downregulated and the swelling and steatosis of the hepatocytes were significantly lower in the Qihu-M and Qihu-H groups than in the DM group. Qihu downregulated the expression of IL-1ß, IL-6, and TXNIP and upregulated the AMP-activated protein kinase (AMPK) signaling pathway in the pancreas and liver tissues of db/db mice. CONCLUSION: The anti-diabetic effects of Qihu are mediated through the activation of the AMPK/Txnip signaling and the downregulation of the secretion of inflammatory factors in db/db mice.

20.
Dalton Trans ; 50(20): 7065-7077, 2021 May 25.
Artículo en Inglés | MEDLINE | ID: mdl-33949542

RESUMEN

Doping engineering is an effective modification strategy to enhance the electrochemical performance of electrode materials. In this paper, the impacts of heteroatom doping in monolayer titanium disulfide (TiS2) by substituting the S atom with the heteroatoms (B, C, N, O, F, and P) on the adsorption and diffusion capabilities of alkali metals (Li, Na, and K) have been systematically investigated using first-principles calculations to evaluate the material performance for application in alkali metal-ion batteries. The doping of most heteroatoms can promote the adsorption capability of alkali metal atoms on monolayer TiS2 as their adsorption energies decrease compared with the pristine system, particularly for p-type doping with C, N, and P. The diffusion energy barriers decrease when alkali metals approach the doping site of most heteroatom-doped TiS2, and the barriers near the doping site are extremely small (0.00-0.08 eV), whereas they slightly increase as alkali metals move away from the doping site. P doping has the lowest overall diffusion energy barrier for each metal. Thus, monolayer TiS2 with heteroatom doping, especially P doping, can be used as a potential anode material for alkali metal-ion batteries. This study can help comprehend the impacts of heteroatom doping and design high-performance electrode materials for rechargeable batteries.

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