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1.
ACS Appl Mater Interfaces ; 13(31): 37527-37534, 2021 Aug 11.
Article in English | MEDLINE | ID: mdl-34333972

ABSTRACT

Anisotropy in crystals usually has remarkable consequences in two-dimensional (2D) materials, for example, black phosphorus, PdSe2, and SnS, arising from different lattice periodicities along different crystallographic directions. Electrical anisotropy has been successfully demonstrated in 2D materials, but anisotropic magnetoresistance in 2D materials is rarely studied. Herein, we report anisotropic magnetoresistance in layered nonmagnetic semiconducting PdSe2 flakes. Anisotropic magnetoresistance along the two crystalline axes under a perpendicular magnetic field is demonstrated, and the magnetoresistance along the a-axis is apparently different from the magnetoresistance along the b-axis. The magnetoresistance can also be flexibly tuned by applying a gate voltage, leveraging the semiconductor properties of PdSe2. The computed anisotropic electronic density of states and electronic mobility with ab initio density functional calculations support the anisotropic and measured magnetoresistance. Our findings advance the understanding of magnetoresistance in anisotropic transition-metal dichalcogenides and pave the way for potential applications in anisotropic spintronic devices.

2.
Sci Rep ; 10(1): 20902, 2020 12 01.
Article in English | MEDLINE | ID: mdl-33262384

ABSTRACT

We aimed to evaluate the application of external beam radiotherapy (EBRT) combined with californium-252 (252Cf) neutron intraluminal brachytherapy (NBT) in patients with local recurrent esophageal cancer after definitive chemoradiotherapy (CRT). Sixty-two patients with local recurrent esophageal squamous cell carcinoma after definitive CRT were retrospectively analyzed; 31 patients underwent NBT+EBRT, and 31 received EBRT alone. The response rate; 1-, 2-, and 3-year overall survival rates; and adverse event occurrence rates were compared between these two patient groups. The response rate was 83.87% (26/31) in the NBT+EBRT group and 67.74% (21/31) in the EBRT group (p < 0.001). The 1-, 2-, and 3-year overall survival rates were 80.6%, 32.3%, and 6.5%, respectively, in the EBRT group, with a median survival time of 18 months. The 1-, 2-, and 3-year overall survival rates were 83.8%, 41.9%, and 6.9%, respectively, in the NBT+EBRT group, with a median survival time of 19 months. The differences between the groups were not significant (p = 0.352). Regarding acute toxicity, no incidences of fistula or massive bleeding were observed during the treatment period. The incidences of severe and late complications were not significantly different between the two groups (p = 0.080). However, the causes of death for all patients differed between the groups. Our data indicate that 252Cf-NBT+EBRT produces favorable local control for patients with local recurrent esophageal cancer after CRT, with tolerable side effects.


Subject(s)
Brachytherapy/methods , Californium/administration & dosage , Esophageal Neoplasms/radiotherapy , Esophageal Squamous Cell Carcinoma/radiotherapy , Neoplasm Recurrence, Local/radiotherapy , Esophageal Neoplasms/drug therapy , Esophageal Neoplasms/pathology , Esophageal Squamous Cell Carcinoma/drug therapy , Esophageal Squamous Cell Carcinoma/pathology , Female , Humans , Male , Middle Aged , Radiotherapy Dosage , Retrospective Studies , Survival Rate
3.
Bot Stud ; 61(1): 29, 2020 Nov 02.
Article in English | MEDLINE | ID: mdl-33140285

ABSTRACT

BACKGROUND: Southeast Asia, together with tropical Africa, Madagascar, South India and Sri Lanka, and the eastern Himalayas, are the five primary hotspots of species diversity of Impatiens (Balsaminaceae). China is also rich in Impatiens species, especially in the limestone karsts or 'Danxia' landforms. With zygomorphic flowers and diverse corolla morphology and color, the species in Impatiens are well-known for their ornamental use, but they are also notorious in taxonomy. During the preparation of revision of Impatiens in Zhejiang and adjacent regions, an unknown species was collected from Mt. Wuyi in Fujian Province, Southeast China. RESULTS: Phylogenetic analyses based on nuclear ITS, chloroplast atpB-rbcL and trnL-F sequences, together with micromorphology of pollen grains and seed coats, strongly supported the close relationship of the new species with Impatiens platysepala Y.L.Chen and I. chloroxantha Y.L.Chen. In turn, both molecular data and morphological characters also were sufficient to distinguish the new species from the other two counterparts. CONCLUSIONS: Our detailed morphological observations and molecular phylogenetic analyses support the recognition of Impatiens wuyiensis as a species new to science.

4.
J Phys Condens Matter ; 33(5)2020 Nov 05.
Article in English | MEDLINE | ID: mdl-33017806

ABSTRACT

We investigate the radiation of energy and angular momentum from 2D topological systems with broken inversion symmetry and time reversal symmetry. A general theory of far-field radiation is developed using the linear response of 2D materials to the thermal fluctuation of electric currents. Applying the theory to the Haldane model, we verify that the heat radiation complies with Planck's law only at low temperature and deviates from it as temperature becomes high. In contrast to normal metals, angular momentum radiation is possible for this system and exhibits saturation as temperature increases. Parameters crucial to the radiation are investigated and optimized. This research enlightens the possibility of transposing the quantum information to the angular momentum degree of freedom.

5.
J Phys Chem Lett ; 11(20): 8721-8726, 2020 Oct 15.
Article in English | MEDLINE | ID: mdl-32996769

ABSTRACT

The photon blockade induced by optical nonlinearity has been widely used to generate single-photon emission under optical driving in quantum optics. However, the same approach is difficult to achieve in electrically driven molecular junctions. Here we propose a scheme for tuning photon statistics via Fano-like interference effect in a system consisting of two molecules within one optical cavity. Under electrical pumping, a transition from photon bunching to antibunching takes place as a manifestation of the Fano-like interference. This effect persists even in the presence of the dipole-dipole interaction between molecules based on the parameters extracted from the experiments. Our proposal can be realized in current-carrying scanning tunneling microscope junctions.

6.
Zhongguo Gu Shang ; 33(7): 596-601, 2020 Jul 25.
Article in Chinese | MEDLINE | ID: mdl-32700480

ABSTRACT

OBJECTIVE: To explore clinical effect of internal and external fixation combined with second-stage perforator fiap for the treatment of ankle fracture dislocation of Gustilo-Anderson types ⅢB and ⅢC. METHODS: From May 2014 to July 2017, 20 patients with Gustilo-Anderson types ⅢB and ⅢC ankle fracture dislocation were treated with internal and external fixation combined with second-stage perforator fiap, including 14 males and 6 females, aged from 18 to 58 years old with an average of (39.0±9.7) years old;17 patients were type ⅢB and 3 patients were type ⅢC according to Gustilo-Anderson classification;4 patients were type A, 7 patients were type B, and 9 patients were type C according to AO classification. The size of wound ranged from 4 cm×3 cm to 20 cm×9 cm. Second-stage perforator flap, 11 patients were performed with posterior tibial artery perforator flap, 5 patients were performed with fibular artery perforator flap, 1 patient was performed with anterior ankle flap, and 3 patients were performed with posterior tibial artery perforator flap combined with fibular artery perforator flap. Postoperative wound healing, flap survival and fracture healing were observed, AOFAS score was used to evaluate at the latest follow up. RESULTS: All limbs were preserved successfully without amputation. Nine patients occurred superficial infection without deep infection and osteomyelitis occurring. The flaps of 19 patients survived. All patients were followed up for 6 to 18 months with an average of (12.0±2.9) months. The flaps healed well without sinus tract, bone exposure and bone disunion occurring. Fracture healing time ranged from 4 to 10 months with an average of (6.6±1.7) months. PostoperativeAOFAS score was 76.7± 16.4, among which 4 patients got excellent result, 11 patients good, 3 patients fair, and 2 poor. CONCLUSION: Internal and external fixation combined with second stage perforator fiap for the treatment of ankle fracture dislocation of Gustilo-Anderson types ⅢB and ⅢC could effectively close the wound, improve fracture healing and restore appearance and function of limbs to the maximum.


Subject(s)
Fracture Dislocation , Perforator Flap , Plastic Surgery Procedures , Soft Tissue Injuries/surgery , Adolescent , Adult , Ankle , Female , Fracture Fixation, Internal , Humans , Male , Middle Aged , Skin Transplantation , Treatment Outcome , Young Adult
7.
BMC Plant Biol ; 20(1): 177, 2020 Apr 22.
Article in English | MEDLINE | ID: mdl-32321422

ABSTRACT

BACKGROUND: Curd architecture is one of the most important characters determining the curd morphology of cauliflower. However, the genetic mechanism dissection of this complex trait at molecular level is lacking. Genes/QTLs responsible for the morphological differences between present-day loose-curd and compact-curd cauliflower haven't been well revealed. RESULTS: Herein, by using a common compact-curd parent and two loose-curd parents, we developed two double haploid (DH) populations including 122 and 79 lines, respectively. For each population, we decomposed the curd architecture concept into four parameters (basal diameter, stalk length, stalk angle and curd solidity), and collected corresponding phenotypic data for each parameter across two environments. The Kosambi function and composite interval mapping algorithm were conducted to construct the linkage map and analyze the QTLs associated with curd architecture parameters. A total of 20 QTLs were detected with the minimum likelihood of odd (LOD) values ranging from 2.61 to 8.38 and the percentage of the phenotypic variance explained by each QTL (PVE) varying between 7.69 and 25.10%. Of these, two QTLs controlling stalk length (qSL.C6-1, qSL.C6-2) and two QTLs controlling curd solidity (qCS.C6-1 and qCS.C6-2) were steadily expressed in both environments. Further, qSL.C6-1, qSL.C6-2, qCS.C6-1 and qCS.C6-4 fell into the same chromosomal region of the reference genome, indicating that these loci are involved in pleiotropic effects or are tightly linked. CONCLUSION: The current study identified a series of QTLs associated with curd architecture parameters, which might contribute essentially to the formation of present-day loose-curd cauliflower that is widely cultivated in China. These results may pave the way for intensive deciphering the molecular mechanisms of curd development and for marker-assisted selection of curd morphology in cauliflower breeding.


Subject(s)
Brassica/genetics , Flowers/growth & development , Polymorphism, Single Nucleotide , Quantitative Trait Loci , Brassica/growth & development , Chromosome Mapping , Flowers/genetics
8.
ACS Appl Mater Interfaces ; 12(12): 14298-14307, 2020 Mar 25.
Article in English | MEDLINE | ID: mdl-32125819

ABSTRACT

Silicon is one of the most frequently used chemical elements of the periodic table in nanotechnology (Goodilin et al., ACS Nano 2019, 13, 10879-10886). Two-dimensional silicene, a silicon analogue of graphene, has been readily obtained to make field-effect transistors since 2015 (Tao et al., Nat. Nanotechnol. 2015, 10, 227; Tsai et al., Nat. Commun. 2013, 4, 1500). Recently, as new members of the silicene family, penta-silicene and its nanoribbon have been experimentally grown on a Ag(110) surface with exotic electronic properties (Cerdá et al., Nat. Commun. 2016, 7, 13076; Sheng et al., Nano Lett. 2018, 18, 2937-2942). However, the thermoelectric performance of penta-silicene has not been so far studied, which would hinder its potential applications of electric generation from waste heat and solid-state Peltier coolers. Based on the Boltzmann transport theory and ab initio calculations, we find that penta-silicene shows remarkable room-temperature figures of merit ZT of 3.4 and 3.0 at the reachable hole and electron concentrations, respectively. We attribute this high ZT to the superior "pudding-mold" electronic band structure and ultralow lattice thermal conductivity. The discovery provides new insight into the transport property of pentagonal nanostructures and highlights the potential applications of thermoelectric materials at room temperature.

9.
ACS Appl Mater Interfaces ; 11(50): 47279-47288, 2019 Dec 18.
Article in English | MEDLINE | ID: mdl-31736292

ABSTRACT

We report a previously unknown monolayer borophene allotrope and we call it super-B with a flat structure based on ab initio calculations. It has good thermal, dynamical, and mechanical stability compared with many other typical borophenes. We find that super-B has a fascinating chemical bond environment consisting of standard sp, sp2 hybridizations, and delocalized five-center three-electron π bond, called π(5c-3e). This particular electronic structure plays a pivotal role in stabilizing the super-B chemically. By extra doping, super-B can be transformed into a Dirac material from pristine metal. Like graphene, it can also sustain tensile strain smaller than 24%, indicating superior flexibility. Moreover, due to the small atomic mass and large density of states at the Fermi level, super-B has the highest critical temperature Tc of 25.3 K in single-element superconductors at ambient conditions. We attribute this high Tc of super-B to the giant anharmonicity of two linear acoustic phonon branches and an unusually low optic phonon mode. These predictions provide new insight into the chemical nature of low dimensional boron nanostructures and highlight the potential applications of designing flexible devices and high Tc superconductor.

10.
Phys Chem Chem Phys ; 21(47): 26033-26040, 2019 Dec 04.
Article in English | MEDLINE | ID: mdl-31746866

ABSTRACT

We study the lattice thermal conductivity of two-dimensional (2D) pentagonal systems, such as penta-silicene and penta-germanene. Penta-silicene has been recently reported, while the stable penta-germanene, made up of another group IV element, is first revealed by our ab initio calculations. We find that both penta-silicene and penta-germanene at room temperature have ultra-low lattice thermal conductivities, κ, of 1.29 W m-1 K-1 and 0.30 W m-1 K-1, respectively. To the best of our knowledge, penta-germanene may have the lowest κ in 2D crystal materials. We attribute the ultra-low κ to the weak phonon harmonic interaction and strong anharmonic scattering. A small phonon group velocity, a small Debye frequency, a large Grüneisen parameter, and a large number of modes available for phonon-phonon interplay together lead to the ultra-low κ of penta-silicene and penta-germanene. These discoveries provide new insight into the manipulation of ultra-low κ in 2D materials and highlight the potential applications of silicon and germanium based high thermoelectric materials.

11.
Lancet Oncol ; 20(11): e619-e626, 2019 11.
Article in English | MEDLINE | ID: mdl-31674320

ABSTRACT

As a result of recent, substantial capacity building, a new landscape for cancer drug trials is emerging in China. However, data on the characteristics of cancer drug trials, and how they have changed over time, are scarce. Based on clinical trials published on the China Food and Drug Administration Registration and Information Disclosure Platform for Drug Clinical Studies, we aimed to systematically review changes over time in clinical trials of cancer drugs in mainland China from 2009 to 2018, to provide insight on the effectiveness of the pharmaceutical industry and identify unmet clinical needs of stakeholders. A total of 1493 trials of 751 newly tested cancer drugs were initiated. Increases over time were observed for the annual number of initiated trials, newly tested drugs, and newly added leading clinical trial units, with a sharp increase after 2016. Of the 1385 trials in which cancer types were identified, solid tumours (325 [23%] trials), non-small-cell lung cancer (232 [17%]), and lymphoma (126 [9%]) were the most common. A markedly uneven distribution was also observed in the geography of leading units with the largest number of leading units located in east China (50 [41%]) and the smallest number located in southwest China (4 [3%]). The growth trends we observed illustrate the progress in and increasing capability of cancer drug research and development achieved in mainland China over the decade from 2009. The low number of clinical trials on tumours with epidemiological characteristics unique to the Chinese population and the unbalanced geographical distribution of leading clinical trial units will provide potential targets for policy makers and other stakeholders. Further research efforts should address cancers uniquely relevant to Chinese populations, globally rare cancers, and the balance between equitable drug access, efficiency, and sustainability of cancer drug research and development in mainland China.


Subject(s)
Antineoplastic Agents/therapeutic use , Clinical Trials as Topic , Drug Development/trends , Medical Oncology/trends , Neoplasms/drug therapy , Research Design/trends , Antineoplastic Agents/adverse effects , China/epidemiology , Diffusion of Innovation , Humans , Neoplasms/diagnosis , Neoplasms/epidemiology , Time Factors , Treatment Outcome
12.
Adv Mater ; 31(36): e1901956, 2019 Sep.
Article in English | MEDLINE | ID: mdl-31348561

ABSTRACT

Establishing the relationship between pressure and heat-electricity interconversion in van der Waals bonded small-molecule organic semiconductors is critical not only in designing flexible thermoelectric materials, but also in developing organic electronics. Here, based on first-principles calculations and using naphthalene as a case study, an unprecedented elevation of p-type thermoelectric power factor induced by pressure is demonstrated; and the power factor increases by 267% from 159.5 µW m-1 K-2 under ambient conditions to 585.8 µW m-1 K-2 at 2.1 GPa. The underlying mechanism is attributed to the dramatic inhibition of lattice-vibration-caused electronic scattering. Furthermore, it is revealed that both restraining low-frequency intermolecular vibrational modes and increasing intermolecular electronic coupling are two essential factors that effectively suppress the electron-phonon scattering. From the standpoint of molecular design, these two conditions can be achieved by extending the π-conjugated backbones, introducing long alkyl sidechains to the π-cores, and substituting heteroatoms in the π-cores.

13.
World J Surg Oncol ; 17(1): 46, 2019 Mar 08.
Article in English | MEDLINE | ID: mdl-30849987

ABSTRACT

BACKGROUND: Osteosarcoma is the most common bone tumor that occurs in children. METHODS: To identify co-expression modules and pathways correlated with osteosarcoma and its clinical characteristics, we performed weighted gene co-expression network analysis (WGCNA) on RNA-seq data of osteosarcoma with 52 samples. Then we performed pathway enrichment analysis on genes from significant modules. RESULTS: A total of 5471 genes were included in WGCNA, and 16 modules were identified. Module-trait analysis identified that a module involved in microtubule bundle formation, drug metabolism-cytochrome P450, and IL-17 signaling pathway was negatively correlated with osteosarcoma and positively correlated with metastasis; a module involved in DNA replication was positively correlated with osteosarcoma; a module involved in cell junction was positively correlated with metastasis; and a module involved in heparin binding negatively correlated with osteosarcoma. Moreover, expression levels in four of the top ten differentially expressed genes were validated in another independent dataset. CONCLUSIONS: Our analysis might provide insight for molecular mechanisms of osteosarcoma.


Subject(s)
Bone Neoplasms/genetics , Gene Expression Profiling , Osteosarcoma/genetics , Osteosarcoma/secondary , Bone Neoplasms/metabolism , Bone Neoplasms/pathology , Gene Expression , Gene Expression Regulation, Neoplastic/genetics , Humans , Neoplasm Metastasis , Osteosarcoma/metabolism , Prognosis
14.
BMC Plant Biol ; 19(1): 106, 2019 Mar 19.
Article in English | MEDLINE | ID: mdl-30890145

ABSTRACT

BACKGROUND: MADS-box genes play important roles in vegetative growth and reproductive development and are essential for the correct development of plants (particularly inflorescences, flowers, and fruits). However, this gene family has not been identified nor their functions analyzed in Brassica oleracea. RESULTS: In this study, we performed a whole-genome survey of the complete set of MADS-box genes in B. oleracea. In total, 91 MADS-box transcription factors (TFs) were identified and categorized as type I (Mα, Mß, Mγ) and type II (MIKCC, MIKC*) groups according to the phylogeny and gene structure analysis. Among these genes, 59 were randomly distributed on 9 chromosomes, while the other 23 were assigned to 19 scaffolds and 9 genes from NCBI had no location information. Both RNA-sequencing and quantitative real-time-PCR analysis suggested that MIKC genes had more active and complex expression patterns than M type genes and most type II genes showed high flowering-related expression profiles. Additional quantitative real-time-PCR analysis of pedicel and four flower whorls revealed that the structure of the B.oleracea MIKC genes was conserved, but their homologues showed variable expression patterns compared to those in Arabidopsis thaliana. CONCLUSION: This paper gives a detailed overview of the BolMADS genes and their expression patterns. The results obtained in this study provide useful information for understanding the molecular regulation of flower development and further functional characterization of MADS-box genes in B. oleracea.


Subject(s)
Brassica/genetics , Flowers/growth & development , Genome, Plant , MADS Domain Proteins/genetics , Brassica/growth & development , Brassica/metabolism , Chromosomes, Plant , Flowers/metabolism , MADS Domain Proteins/metabolism , Phylogeny
15.
Mol Med Rep ; 19(4): 2729-2739, 2019 Apr.
Article in English | MEDLINE | ID: mdl-30720085

ABSTRACT

Osteosarcoma (OS) is the most common primary bone malignancy. It predominantly occurs in adolescents, but can develop at any age. The age at diagnosis is a prognostic factor of OS, but the molecular basis of this remains unknown. The current study aimed to identify age­induced differentially expressed genes (DEGs) and potential molecular mechanisms that contribute to the different outcomes of patients with OS. Microarray data (GSE39058 and GSE39040) obtained from the Gene Expression Omnibus database and used to analyze age­induced DEGs to reveal molecular mechanism of OS among different age groups (<20 and >20 years old). Differentially expressed mRNAs (DEMs) were divided into up and downregulated DEMs (according to the expression fold change), then Gene Ontology function enrichment and Kyoto Encyclopedia of Genes and Genomes pathway analysis were performed. Furthermore, the interactions among proteins encoded by DEMs were integrated with prediction for microRNA­mRNA interactions to construct a regulatory network. The key subnetwork was extracted and Kaplan­Meier survival analysis for a key microRNA was performed. DEMs within the subnetwork were predominantly involved in 'ubiquitin protein ligase binding', 'response to growth factor', 'regulation of type I interferon production', 'response to decreased oxygen levels', 'voltage­gated potassium channel complex', 'synapse part', 'regulation of stem cell proliferation'. In summary, integrated bioinformatics was applied to analyze the potential molecular mechanisms leading to different outcomes of patients with OS among different age groups. The hub genes within the key subnetwork may have crucial roles in the different outcomes associated with age and require further analysis.


Subject(s)
Bone Neoplasms/genetics , Bone Neoplasms/metabolism , Computational Biology , Gene Expression Regulation, Neoplastic , Osteosarcoma/genetics , Osteosarcoma/metabolism , Biomarkers, Tumor , Bone Neoplasms/mortality , Computational Biology/methods , Gene Expression Profiling , Gene Regulatory Networks , Humans , Kaplan-Meier Estimate , Osteosarcoma/mortality , Prognosis , Protein Interaction Mapping , Protein Interaction Maps
16.
J Cell Biochem ; 120(6): 10195-10204, 2019 06.
Article in English | MEDLINE | ID: mdl-30565728

ABSTRACT

The aim of the present study was to identify the functional role of galectin-3 (Gal-3) in lipopolysaccharide (LPS)-induced injury in ATDC5 cells and to explore the probable molecular mechanisms. Here, we identified that LPS is sufficient to enhance the expression of Gal-3 in ATDC5 cells. In addition, repression of Gal-3 obviously impeded LPS-stimulated inflammation damage as exemplified by a reduction in the release of inflammatory mediators interleukin (IL)-1ß, IL-6, and tumor necrosis factor-α, as well as the production of nitric oxide and prostaglandin E2 (PGE2) concomitant with the downregulation of matrix metalloproteinases (MMP)-13 and MMP-3 expression in ATDC5 cells after LPS administration. Moreover, ablation of Gal-3 dramatically augmented cell ability and attenuated cell apoptosis accompanied by an increase in the expression of antiapoptotic protein Bcl-2 and a decrease in the expression of proapoptotic protein Bax and caspase-3 in ATDC5 cells subjected with LPS. Importantly, we observed that forced expression of TLR4 or blocked PPAR-γ with the antagonist GW9662 effectively abolished Gal-3 inhibition-mediated anti-inflammatory and antiapoptosis effects triggered by LPS. Mechanistically, depletion of Gal-3 prevents the NF-κB signaling pathway. Taken together, these findings indicated that the absence of Gal-3 exerted chondroprotective properties dependent on TLR4 and PPAR-γ-mediated NF-κB signaling, indicating that Gal-3 functions as a protector in the development and progression of osteoarthritis.


Subject(s)
Chondrocytes/drug effects , Galectin 3/deficiency , Lipopolysaccharides/pharmacology , NF-kappa B/metabolism , PPAR gamma/metabolism , Toll-Like Receptor 4/metabolism , Anilides/pharmacology , Animals , Apoptosis/drug effects , Apoptosis Regulatory Proteins/metabolism , Cell Line, Tumor , Chondrocytes/metabolism , Chondrocytes/pathology , Cytokines/metabolism , Galectin 3/genetics , Inflammation Mediators/metabolism , Matrix Metalloproteinase 1/metabolism , Matrix Metalloproteinase 13/metabolism , Osteoarthritis/genetics , Osteoarthritis/metabolism , Osteoarthritis/pathology , PPAR gamma/antagonists & inhibitors , RNA Interference , Signal Transduction/drug effects , Signal Transduction/genetics
17.
J Am Chem Soc ; 140(41): 13200-13204, 2018 Oct 17.
Article in English | MEDLINE | ID: mdl-30277067

ABSTRACT

It is generally deemed that doping is a must for polymeric materials to achieve their high thermoelectric performance. We herein present the first report that intrinsically metallic behaviors and high-performance thermoelectric power factors can coexist within doping-free linear-backbone conducting polymers, poly(nickel-ethylenetetrathiolate) and its analogs. On the basis of density functional calculations, we have corroborated that four crystalline π- d conjugated transition-metal coordination polymers, including poly(Ni-C2S4), poly(Ni-C2Se4), poly(Pd-C2S4) and poly(Pt-C2S4) exhibit intrinsically metallic behavior arising from the formation of dense intermolecular interaction networks between sulfur/selenium atoms. They show moderate carrier concentrations (1019-1021 cm-3) and decent conductivities (103-104 S cm-1), among which, poly(Ni-C2S4), poly(Ni-C2Se4) and poly(Pd-C2S4) possess high power factors (∼103 µW m-1 K-2).

18.
ACS Appl Mater Interfaces ; 10(41): 35306-35315, 2018 Oct 17.
Article in English | MEDLINE | ID: mdl-30251818

ABSTRACT

Extraordinary progress has been achieved in polymer-based thermoelectric materials in recent years. New emerging π-conjugated transition-metal coordination polymers are one of the best n-type polymer-based thermoelectric materials. However, the microscopic descriptions on geometric structures, orbital characteristics, and most importantly, thermoelectric properties remain elusive, which has seriously hampered the experimentalists to draw a straightforward design strategy for new n-type polymer-based thermoelectric materials. Herein, we assess the n-type thermoelectric properties of 20 π-conjugated d8 metal center coordination polymers and rationalize their thermoelectric properties in terms of molecular geometry, orbital nature, and electron-phonon coupling based on first-principles calculations. An explicit screening rule for high-performance n-type π-conjugated transition-metal coordination polymeric thermoelectric materials was found, i.e., smaller metal center d orbital component ratio in the conduction band minimum, weaker electron-phonon coupling, higher intrinsic mobility, and thereby higher thermoelectric power factor can be achieved. Guided by this rule, poly(Pd-C2S4) and poly(Ni-C2Se4) show very high power factors. We built a map of high-performance π-conjugated transition-metal coordination polymers for n-type thermoelectric applications, which will help to accelerate the screening and design of innovative n-type thermoelectric polymers.

19.
Phys Rev E ; 98(1-1): 012118, 2018 Jul.
Article in English | MEDLINE | ID: mdl-30110761

ABSTRACT

It has been shown recently that the Coulomb part of electromagnetic interactions is more important than the transverse propagation waves for the near-field enhancement of heat transfer between metal objects at a distance of order nanometers. Here we present a theory focusing solely on the Coulomb potential between electrons hopping among tight-binding sites. When the relevant systems are reduced to very small geometry, for example, a single site, the enhancement is much higher compared to a collection of them packed within a distance of a few Å. We credit this to the screening effect. This result may be useful in designing metal-based metamaterials to enhance heat transfer much higher.

20.
J Phys Condens Matter ; 30(5): 055301, 2018 Feb 07.
Article in English | MEDLINE | ID: mdl-29261095

ABSTRACT

The bulk tin selenide (SnSe) is the best thermoelectric material currently with the highest figure-of-merit due to strong phonon-phonon interactions. We investigate the effect of electron-phonon coupling (EPC) on the transport properties of a two-dimensional (2D) SnSe sheet. We demonstrate that EPC plays a key role in the scattering rate when the constant relaxation time approximation is deficient. The EPC strength is especially large in contrast to that of pristine graphene. The scattering rate depends sensitively on the system temperatures and the carrier densities when the Fermi energy approaches the band edge. We also investigate the magnetothermoelectric effect of the 2D SnSe. It is found that at low temperatures there is enormous magnetoelectrical resistivity and magnetothermal resistivity above 200%, suggesting possible potential applications in device design. Our results agree qualitatively well with the experimental data.

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