التفاصيل البيبلوغرافية
| العنوان: |
Intrinsic interaction between in-plane ferroelectric polarization and surface adsorption. |
| المؤلفون: |
Wang ZW; National Laboratory of Solid State Microstructures and School of Physics, Nanjing University, Nanjing 210093, China. djshu@nju.edu.cn., Shu DJ |
| المصدر: |
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2019 Aug 28; Vol. 21 (34), pp. 18680-18685. |
| نوع المنشور: |
Journal Article |
| اللغة: |
English |
| بيانات الدورية: |
Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Print Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: PubMed not MEDLINE; MEDLINE |
| أسماء مطبوعة: |
Original Publication: Cambridge [England] : Royal Society of Chemistry, c1999- |
| مستخلص: |
The chemical properties of a ferroelectric surface are polarization dependent, the underlying nature of which is, however, far from being completely understood. One of the reasons is that when the polarization direction is perpendicular to the surface, the depolarization field may induce electronic or atomic reconstruction and thus change the chemistry of the ferroelectric surface in complicated ways. Instead, the in-plane polarization results in no depolarization field. Therefore, the chemical properties of a ferroelectric surface can be more intrinsically reflected by the interplay between the in-plane polarization and the surface adsorption. By using first-principles calculations, we study the effect of the strain-induced in-plane polarization on the adsorption of a series of molecules on the reduced rutile TiO2(110) surface. We reveal that it is the surface doping caused by the charge transfer between the adsorbates and the TiO2(110) surface that dominates the polarization-induced change of the adsorption energy, as a result of screening long-range Coulomb interactions. The electrostatic interaction between the polarization of the substrate and the polar molecule is of relatively less importance. We propose that charge transfer effects generally occur for ferroelectric surfaces with no localized surface states. |
| تواريخ الأحداث: |
Date Created: 20190817 Latest Revision: 20190829 |
| رمز التحديث: |
20240628 |
| DOI: |
10.1039/c9cp03286j |
| PMID: |
31418001 |
| قاعدة البيانات: |
MEDLINE |
