当前位置： SCI文献检索 > Scientific Reports期刊下所有文献 > Structures, stabilities, and electronic properties of defects in monolayer black phosphorus.

Structures, stabilities, and electronic properties of defects in monolayer black phosphorus.

Abstract：

:The structures, stabilities, and electronic properties of monolayer black phosphorus (M-BP) with different kinds of defects are investigated within the frame of density-functional theory. All the possible configurations of defects in M-BP are explored, and the calculated results suggest that the stabilities of the configurations with different kinds of defects are greatly related to broken bonds, structural deformation and the character of the bonding. The configurations with two or three vacancies are energetically more favorable than the ones with a single vacancy. Meanwhile, the doping of two foreign atoms, such as sulfur, silicon or aluminum, is more stable than that of the corresponding single dopant. The electronic properties of M-BP are greatly affected by the types of defects. The single S-doped M-BP not only retains the character of a direct semiconductor, but it also can enlarge the band gap by 0.24 eV relative to the perfect one. Such results reveal that the defects not only greatly affect the electronic properties, but they also can be used as an effective way to modulate the band gap for the different applications of M-BP in electronic devices.

journal_name

Sci Rep

journal_title

Scientific reports

authors

Li XB,Guo P,Cao TF,Liu H,Lau WM,Liu LM

doi

10.1038/srep10848

subject

Has Abstract

pub_date

2015-06-02 00:00:00

pages

10848

issn

2045-2322

pii

srep10848

journal_volume

5

pub_type

杂志文章

相关文献

Scientific Reports文献大全
  • Role of RPTPβ/ζ in neuroinflammation and microglia-neuron communication.

    abstract：:Pleiotrophin (PTN) is a cytokine that is upregulated in different neuroinflammatory disorders. Using mice with transgenic PTN overexpression in the brain (Ptn-Tg), we have found a positive correlation between iNos and Tnfα mRNA and Ptn mRNA levels in the prefrontal cortex (PFC) of LPS-treated mice. PTN is an inhibitor...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-020-76415-5

    authors： Fernández-Calle R,Galán-Llario M,Gramage E,Zapatería B,Vicente-Rodríguez M,Zapico JM,de Pascual-Teresa B,Ramos A,Ramos-Álvarez MP,Uribarri M,Ferrer-Alcón M,Herradón G

    更新日期：2020-11-20 00:00:00

  • Increased diversity of egg-associated bacteria on brown trout (Salmo trutta) at elevated temperatures.

    abstract：:The taxonomic composition of egg-associated microbial communities can play a crucial role in the development of fish embryos. In response, hosts increasingly influence the composition of their associated microbial communities during embryogenesis, as concluded from recent field studies and laboratory experiments. Howe...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/srep17084

    authors： Wilkins LG,Rogivue A,Schütz F,Fumagalli L,Wedekind C

    更新日期：2015-11-27 00:00:00

  • A potential adjuvant chemotherapeutics, 18β-glycyrrhetinic acid, inhibits renal tubular epithelial cells apoptosis via enhancing BMP-7 epigenetically through targeting HDAC2.

    abstract：:Cisplatin, a highly effective and widely used chemotherapeutic agent, has a major limitation for its nephrotoxicity. We recently identified a novel strategy for attenuating its nephrotoxicity in chemotherapy by an effective adjuvant via epigenetic modification through targeting HDAC2. Molecular docking and SPR assay f...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/srep25396

    authors： Ma T,Huang C,Meng X,Li X,Zhang Y,Ji S,Li J,Ye M,Liang H

    更新日期：2016-05-05 00:00:00

  • The intertwined metabolism during symbiotic nitrogen fixation elucidated by metabolic modelling.

    abstract：:Genome-scale metabolic network models can be used for various analyses including the prediction of metabolic responses to changes in the environment. Legumes are well known for their rhizobial symbiosis that introduces nitrogen into the global nutrient cycle. Here, we describe a fully compartmentalised, mass and charg...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-018-30884-x

    authors： Pfau T,Christian N,Masakapalli SK,Sweetlove LJ,Poolman MG,Ebenhöh O

    更新日期：2018-08-21 00:00:00

  • Efficient Alpha Radiation Detector using Low Temperature Hydrothermally Grown ZnO:Ga Nanorod Scintillator.

    abstract：:We report efficient detection of alpha radiation on highly textured and vertically aligned along (002) Gallium-doped Zinc Oxide (ZnO:Ga) nanorods on a glass substrate with an average diameter ~150 ± 10 nm. Photoluminescence measurement showed near band emission 393 nm, in agreement with the bandgap value ~3.22 eV, mea...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-019-47732-1

    authors： Sahani RM,Kumari C,Pandya A,Dixit A

    更新日期：2019-08-06 00:00:00

  • Mammary Tumors Induce Central Pro-inflammatory Cytokine Expression, but Not Behavioral Deficits in Balb/C Mice.

    abstract：:Breast cancer survivors are more likely to develop mood disorders and cognitive deficits than women in the general population. Previous studies suggest that peripheral tumors elicit central pro-inflammatory cytokine production, in turn leading to depression and cognitive deficits. In the current study, two cohorts of ...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-017-07596-9

    authors： Walker Ii WH,Borniger JC,Surbhi,Zalenski AA,Muscarella SL,Fitzgerald JA,Zhang N,Gaudier-Diaz MM,DeVries AC

    更新日期：2017-08-15 00:00:00

  • Imitation in Angelman syndrome: the role of social engagement.

    abstract：:Individuals with Angelman syndrome (AS) are characterized by severe cognitive impairments alongside an enhanced drive for social engagement. As knowledge on imitation skills in this population is limited, we conducted the first controlled study of imitation in AS. We examined how 23 individuals with AS and 21 typicall...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-020-72079-3

    authors： Micheletti S,Vivanti G,Renzetti S,Martelli P,Calza S,“Imitation in Angelman” Study Group.,Fazzi E

    更新日期：2020-10-02 00:00:00

  • EPR Imaging of Metallic Lithium and its Application to Dendrite Localisation in Battery Separators.

    abstract：:Conduction Electron Paramagnetic Resonance Imaging (CEPRI) is presented as a sensitive technique for mapping metallic lithium species. The method is demonstrated using different samples that are either thick or thin compared to the microwave skin depth. As a thin sample, microstructured metallic lithium deposits in a ...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-018-32112-y

    authors： Niemöller A,Jakes P,Eichel RA,Granwehr J

    更新日期：2018-09-25 00:00:00

  • Exciton Diffusion in Organic Nanofibers: A Monte Carlo Study on the Effects of Temperature and Dimensionality.

    abstract：:Organic nanofibers have found various applications in optoelectronic devices. In such devices, exciton diffusion is a major aspect concerning their efficiency. In the case of singlet excitons, Förster transfer is the mechanism responsible for this process. Temperature and morphology are factors known to influence exci...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-018-32232-5

    authors： de Sousa LE,da Silva Filho DA,de Sousa RT Jr,de Oliveira Neto PH

    更新日期：2018-09-19 00:00:00

  • A systems-approach reveals human nestin is an endothelial-enriched, angiogenesis-independent intermediate filament protein.

    abstract：:The intermediate filament protein nestin is expressed during embryonic development, but considered largely restricted to areas of regeneration in the adult. Here, we perform a body-wide transcriptome and protein-profiling analysis to reveal that nestin is constitutively, and highly-selectively, expressed in adult huma...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-018-32859-4

    authors： Dusart P,Fagerberg L,Perisic L,Civelek M,Struck E,Hedin U,Uhlén M,Trégouët DA,Renné T,Odeberg J,Butler LM

    更新日期：2018-10-02 00:00:00

  • Physical Activity, Energy Expenditure, and Defense of Body Weight in Melanocortin 4 Receptor-Deficient Male Rats.

    abstract：:Melanocortin 4 receptor (MC4R) variants contribute to human obesity, and rats lacking functional MC4R (Mc4rK314X/K314X) are obese. We investigated the hypothesis that low energy expenditure (EE) and physical activity contribute to this obese phenotype in male rats, and determined whether lack of functional MC4R confer...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/srep37435

    authors： Almundarij TI,Smyers ME,Spriggs A,Heemstra LA,Beltz L,Dyne E,Ridenour C,Novak CM

    更新日期：2016-11-25 00:00:00

  • Combined application of NMR- and GC-MS-based metabonomics yields a superior urinary biomarker panel for bipolar disorder.

    abstract：:Bipolar disorder (BD) is a debilitating mental disorder that cannot be diagnosed by objective laboratory-based modalities. Our previous studies have independently used nuclear magnetic resonance (NMR)-based and gas chromatography-mass spectrometry (GC-MS)-based metabonomic methods to characterize the urinary metabolic...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/srep05855

    authors： Chen JJ,Liu Z,Fan SH,Yang DY,Zheng P,Shao WH,Qi ZG,Xu XJ,Li Q,Mu J,Yang YT,Xie P

    更新日期：2014-07-28 00:00:00

  • Reference Genes for Expression Studies in Human CD8+ Naïve and Effector Memory T Cells under Resting and Activating Conditions.

    abstract：:Reverse-transcription quantitative real-time polymerase chain reaction (RT-qPCR) is widely used for mRNA quantification. To accurately measure changing gene transcript levels under different experimental conditions, the use of appropriate reference gene transcripts is instrumental. In T cell immunology, suitable refer...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-020-66367-1

    authors： Geigges M,Gubser PM,Unterstab G,Lecoultre Y,Paro R,Hess C

    更新日期：2020-06-10 00:00:00

  • High-hole mobility polycrystalline Ge on an insulator formed by controlling precursor atomic density for solid-phase crystallization.

    abstract：:High-carrier mobility semiconductors on insulators are essential for fabricating advanced thin-film transistors, allowing for three-dimensional integrated circuits or high-performance mobile terminals. We investigate the low-temperature (375-450 °C) solid-phase crystallization (SPC) of Ge on a glass substrate, focusin...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-017-17273-6

    authors： Toko K,Yoshimine R,Moto K,Suemasu T

    更新日期：2017-12-05 00:00:00

  • Alpha-lipoic acid ameliorates the epithelial mesenchymal transition induced by unilateral ureteral obstruction in mice.

    abstract：:The epithelial-to-mesenchymal transition (EMT) is one of mechanisms that induce renal interstitial fibrosis. Understanding EMT in renal fibrosis has important therapeutic implications for patients with kidney disease. Alpha-lipoic acid (ALA) is a natural compound with antioxidant properties. Studies for ALA are perfor...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/srep46065

    authors： Cho HS,Kim JH,Jang HN,Lee TW,Jung MH,Kim TH,Chang SH,Park DJ

    更新日期：2017-04-05 00:00:00

  • Time trends of esophageal and gastric cancer mortality in China, 1991-2009: an age-period-cohort analysis.

    abstract：:Esophageal and gastric cancers share some risk factors. This study aimed to compare the long-term trends in mortality rates of esophageal and gastric cancers in China to provide evidence for cancer prevention and control. Mortality data were derived from 103 continuous points of the Disease Surveillance Points system ...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-017-07071-5

    authors： Li M,Wan X,Wang Y,Sun Y,Yang G,Wang L

    更新日期：2017-07-28 00:00:00

  • Quantum Google in a complex network.

    abstract：:We investigate the behaviour of the recently proposed Quantum PageRank algorithm, in large complex networks. We find that the algorithm is able to univocally reveal the underlying topology of the network and to identify and order the most relevant nodes. Furthermore, it is capable to clearly highlight the structure of...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/srep02773

    authors： Paparo GD,Müller M,Comellas F,Martin-Delgado MA

    更新日期：2013-10-04 00:00:00

  • A combined method to quantify the retinal metabolic rate of oxygen using photoacoustic ophthalmoscopy and optical coherence tomography.

    abstract：:Quantitatively determining physiological parameters at a microscopic level in the retina furthers the understanding of the molecular pathways of blinding diseases, such as diabetic retinopathy and glaucoma. An essential parameter, which has yet to be quantified noninvasively, is the retinal oxygen metabolic rate (rMRO...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/srep06525

    authors： Song W,Wei Q,Liu W,Liu T,Yi J,Sheibani N,Fawzi AA,Linsenmeier RA,Jiao S,Zhang HF

    更新日期：2014-10-06 00:00:00

  • Local biases drive, but do not determine, the perception of illusory trajectories.

    abstract：:When a dot moves horizontally across a set of tilted lines of alternating orientations, the dot appears to be moving up and down along its trajectory. This perceptual phenomenon, known as the slalom illusion, reveals a mismatch between the veridical motion signals and the subjective percept of the motion trajectory, w...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-020-64837-0

    authors： Gheorghes TN,Richardson P,Reidy J

    更新日期：2020-05-08 00:00:00

  • Differentiation of malignant cervical lymphadenopathy by dual-energy CT: a preliminary analysis.

    abstract：:The accurate diagnosis of malignant cervical lymphadenopathy remains challenging. In this study, we determined the value of quantitative parameters derived from dual-energy computed tomography (DECT) for differentiating malignant cervical lymphadenopathy caused by thyroid carcinoma (TC), salivary gland carcinoma (SC),...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/srep31020

    authors： Yang L,Luo D,Li L,Zhao Y,Lin M,Guo W,Zhou C

    更新日期：2016-08-08 00:00:00

  • Engineering of versatile redox partner fusions that support monooxygenase activity of functionally diverse cytochrome P450s.

    abstract：:Most bacterial cytochrome P450 monooxygenases (P450s or CYPs) require two redox partner proteins for activity. To reduce complexity of the redox chain, the Bacillus subtilis flavodoxin YkuN (Y) was fused to the Escherichia coli flavodoxin reductase Fpr (R), and activity was tuned by placing flexible (GGGGS)n or rigid ...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-017-10075-w

    authors： Bakkes PJ,Riehm JL,Sagadin T,Rühlmann A,Schubert P,Biemann S,Girhard M,Hutter MC,Bernhardt R,Urlacher VB

    更新日期：2017-08-29 00:00:00

  • Bispectrum Features and Multilayer Perceptron Classifier to Enhance Seizure Prediction.

    abstract：:The ability to accurately forecast seizures could significantly improve the quality of life of patients with drug-refractory epilepsy. Prediction capabilities rely on the adequate identification of seizure activity precursors from electroencephalography recordings. Although a long list of features has been proposed, n...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-018-33969-9

    authors： Bou Assi E,Gagliano L,Rihana S,Nguyen DK,Sawan M

    更新日期：2018-10-19 00:00:00

  • Mouse aldehyde-oxidase-4 controls diurnal rhythms, fat deposition and locomotor activity.

    abstract：:Aldehyde-oxidase-4 (AOX4) is one of the mouse aldehyde oxidase isoenzymes and its physiological function is unknown. The major source of AOX4 is the Harderian-gland, where the enzyme is characterized by daily rhythmic fluctuations. Deletion of the Aox4 gene causes perturbations in the expression of the circadian-rhyth...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/srep30343

    authors： Terao M,Barzago MM,Kurosaki M,Fratelli M,Bolis M,Borsotti A,Bigini P,Micotti E,Carli M,Invernizzi RW,Bagnati R,Passoni A,Pastorelli R,Brunelli L,Toschi I,Cesari V,Sanoh S,Garattini E

    更新日期：2016-07-26 00:00:00

  • Serum amyloid A binds to fibrin(ogen), promoting fibrin amyloid formation.

    abstract：:Complex associations exist between inflammation and thrombosis, with the inflammatory state tending to promote coagulation. Fibrinogen, an acute phase protein, has been shown to interact with the amyloidogenic ß-amyloid protein of Alzheimer's disease. However, little is known about the association between fibrinogen a...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-019-39056-x

    authors： Page MJ,Thomson GJA,Nunes JM,Engelbrecht AM,Nell TA,de Villiers WJS,de Beer MC,Engelbrecht L,Kell DB,Pretorius E

    更新日期：2019-02-28 00:00:00

  • Dynamical transitions during the collapse of inertial holes.

    abstract：:At the center of a collapsing hole lies a singularity, a point of infinite curvature where the governing equations break down. It is a topic of fundamental physical interest to clarify the dynamics of fluids approaching such singularities. Here, we use scaling arguments supported by high-fidelity simulations to analyz...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-019-50956-w

    authors： Lu J,Corvalan CM

    更新日期：2019-10-10 00:00:00

  • Alcohol consumption promotes colorectal carcinoma metastasis via a CCL5-induced and AMPK-pathway-mediated activation of autophagy.

    abstract：:There is a definite relationship between alcohol consumption and colorectal cancer (CRC) development. We investigated effect of alcohol consumption on CRC patients' progression and prognosis by utilizing epidemiological data and found patients with alcohol consumption increased risks of tumor-node-metastasis (TNM), or...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-018-26856-w

    authors： Zhao H,Chen D,Cao R,Wang S,Yu D,Liu Y,Jiang Y,Xu M,Luo J,Wang S

    更新日期：2018-06-05 00:00:00

  • Relationship between TEC jumps and auroral substorm in the high-latitude ionosphere.

    abstract：:The influence of an auroral substorm on the total electron content (TEC) jumps and cycle slips on Global Positioning System (GPS) at high-latitudes is studied. For the first time, optical data from the all-sky imager, as well as interplanetary magnetic field and magnetometer data are used to complete the analysis of t...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-020-63422-9

    authors： Chernyshov AA,Miloch WJ,Jin Y,Zakharov VI

    更新日期：2020-04-14 00:00:00

  • Enhanced Bandwidth of High Directive Emission Fabry-Perot Resonator Antenna with Tapered Near-Zero Effective Index Using Metasurface.

    abstract：:In this paper, a novel explanation on high directive emission of Fabry-Perot resonator antenna with subwavelength metasurface is proposed. Based on image theory and effective constitutive parameter retrieval, the whole Fabry-Perot resonant cavity structure composed of a single-layer metasurface with square ring elemen...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-017-11141-z

    authors： Liu ZG,Lu WB,Yang W

    更新日期：2017-09-13 00:00:00

  • Exosomal miR-21 promotes proliferation, invasion and therapy resistance of colon adenocarcinoma cells through its target PDCD4.

    abstract：:Exosomes contain cell-specific collections of bioactive materials including proteins, lipids, and RNAs that are transported to recipient cells to exert their impacts. MicroRNAs (miRNAs) can function as tumor suppressor or oncogenic genes and miR-21 is one of the most frequently up-regulated miRNAs in solid tumors incl...

    journal_title：Scientific reports

    pub_type： 杂志文章

    doi：10.1038/s41598-020-65207-6

    authors： Sun LH,Tian D,Yang ZC,Li JL

    更新日期：2020-05-19 00:00:00

  • Chronic Rhinosinusitis Associated with Erectile Dysfunction: A Population-Based Study.

    abstract：:Few studies have investigated the relationship between chronic rhinosinusitis (CRS) and erectile dysfunction (ED). This case-control study aimed to investigate the association between CRS and the risk of ED in a large national sample. Tapping Taiwan's National Health Insurance Research Database, we identified people 3...

    journal_title：Scientific reports

    pub_type： 杂志文章,随机对照试验

    doi：10.1038/srep32195

    authors： Tai SY,Wang LF,Tai CF,Huang YT,Chien CY

    更新日期：2016-08-31 00:00:00