All

What are you looking for?

All
Projects
Results
Organizations

Quick search

  • Projects supported by TA ČR
  • Excellent projects
  • Projects with the highest public support
  • Current projects

Smart search

  • That is how I find a specific +word
  • That is how I leave the -word out of the results
  • “That is how I can find the whole phrase”

Odd-Even Layer Effect of Bismuth Oxychalcogenide Nanosurfaces: A First-Principles Study

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27740%2F19%3A10242875" target="_blank" >RIV/61989100:27740/19:10242875 - isvavai.cz</a>

  • Result on the web

    <a href="https://pubs.acs.org/doi/10.1021/acs.jpcc.9b05790" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jpcc.9b05790</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1021/acs.jpcc.9b05790" target="_blank" >10.1021/acs.jpcc.9b05790</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Odd-Even Layer Effect of Bismuth Oxychalcogenide Nanosurfaces: A First-Principles Study

  • Original language description

    Recently, a second-type two-dimensional (2D) semiconductor Bi2O2Se with high carrier mobility was successfully fabricated by using the chemical vapor deposition (CVD) method. So far the surface-related property of Bi2O2Se remains a mystery to us. To theoretically explore such surface properties, we investigated the stability and electronic structure of the Bi2O2Se (100) and (110) surfaces by first-principles computations. It is found that (100) surfaces possess both the semiconducting nature and comparable stability as traditional adopted (001) surfaces. Thickness-dependent oscillation behavior is observed in the surface energy and band gap values of (100) surfaces, which can be attributed to the odd-even layer effect. Further studies indicate that odd layers will achieve reduced band gaps compared to the bulk phase while the ones with even layers exhibit larger values, and a similar effect in Bi2O2Te and Bi2O2S is also verified due to the same crystalline structure. To understand such an odd-even layer effect, electronic structure is elaborated and reveals that the local atomic mismatch will result in a different spatial distribution of p orbitals in Bi atoms, thus inducing distinct electronic properties. These new findings demonstrate the potential usage in nanoelectronics and optoelectronics based on the nanoslab of bismuth oxychalcogenides, which opens up a promising way for realizing the manipulation on the band gap in semiconductor.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Result continuities

  • Project

    Result was created during the realization of more than one project. More information in the Projects tab.

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2019

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Journal of Physical Chemistry C

  • ISSN

    1932-7447

  • e-ISSN

  • Volume of the periodical

    123

  • Issue of the periodical within the volume

    39

  • Country of publishing house

    US - UNITED STATES

  • Number of pages

    7

  • Pages from-to

    24024-24030

  • UT code for WoS article

    000489086300030

  • EID of the result in the Scopus database