标题
Optoelectronics and defect levels in hydroxyapatite by first-principles
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 148, Issue 15, Pages 154706
出版商
AIP Publishing
发表日期
2018-04-20
DOI
10.1063/1.5025329
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Calcium hydroxyapatite-based photocatalysts for environment remediation: Characteristics, performances and future perspectives
- (2017) C. Piccirillo et al. JOURNAL OF ENVIRONMENTAL MANAGEMENT
- Fabrication of chemically modified graphene oxide/nano hydroxyapatite composite for adsorption and subsequent photocatalytic degradation of aureomycine hydrochloride
- (2017) T.S. Anirudhan et al. JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
- Ferroelectric polarization of hydroxyapatite from density functional theory
- (2017) Shunbo Hu et al. RSC Advances
- First-principles study on structural, electronic, vibrational and thermodynamic properties of Sr10(PO4)6X2 (X = F, Cl, Br)
- (2017) Zhihong Yuan et al. RSC Advances
- Apatite Glass-Ceramics: A Review
- (2017) Tomas Duminis et al. Frontiers in Materials
- Oxygen vacancies, the optical band gap (Eg) and photocatalysis of hydroxyapatite: Comparing modelling with measured data
- (2016) V.S. Bystrov et al. APPLIED CATALYSIS B-ENVIRONMENTAL
- Photodegradation of pharmaceutical persistent pollutants using hydroxyapatite-based materials
- (2016) E. Márquez Brazón et al. JOURNAL OF ENVIRONMENTAL MANAGEMENT
- Predicting Band Gaps with Hybrid Density Functionals
- (2016) Alejandro J. Garza et al. Journal of Physical Chemistry Letters
- Hydroxyapatite substituted by transition metals: experiment and theory
- (2016) M. E. Zilm et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Vibrational renormalisation of the electronic band gap in hexagonal and cubic ice
- (2015) Edgar A. Engel et al. JOURNAL OF CHEMICAL PHYSICS
- Computational study of hydroxyapatite structures, properties and defects
- (2015) V S Bystrov et al. JOURNAL OF PHYSICS D-APPLIED PHYSICS
- An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions
- (2014) Arash A. Mostofi et al. COMPUTER PHYSICS COMMUNICATIONS
- Electrostatics-based finite-size corrections for first-principles point defect calculations
- (2014) Yu Kumagai et al. PHYSICAL REVIEW B
- Greener photocatalysts: Hydroxyapatite derived from waste mussel shells for the photocatalytic degradation of a model azo dye wastewater
- (2013) Jun Haslinda Shariffuddin et al. CHEMICAL ENGINEERING RESEARCH & DESIGN
- Controlling of dielectrical and optical properties of hydroxyapatite based bioceramics by Cd content
- (2013) Omer Kaygili et al. POWDER TECHNOLOGY
- Ferroelectric Polarization in Nanocrystalline Hydroxyapatite Thin Films on Silicon
- (2013) S. B. Lang et al. Scientific Reports
- Finite-size supercell correction schemes for charged defect calculations
- (2012) Hannu-Pekka Komsa et al. PHYSICAL REVIEW B
- Band gap and photocatalytic properties of Ti-substituted hydroxyapatite: Comparison with anatase-TiO2
- (2011) Mineharu Tsukada et al. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
- Computational and experimental studies of size and shape related physical properties of hydroxyapatite nanoparticles
- (2011) V S Bystrov et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- First-principles study of the biomineral hydroxyapatite
- (2011) Alexander Slepko et al. PHYSICAL REVIEW B
- The 390cm−1 feature of polycrystalline hematite—An optical crystallite size effect
- (2009) Thomas G. Mayerhöfer et al. ICARUS
- Application of calcium phosphatenanoparticles in biomedicine
- (2009) M. Epple et al. JOURNAL OF MATERIALS CHEMISTRY
- FullyAb InitioFinite-Size Corrections for Charged-Defect Supercell Calculations
- (2009) Christoph Freysoldt et al. PHYSICAL REVIEW LETTERS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search