CMS seminar2014
Ab Initio Insights into Molecular Electronics and Spintronics
Dr. Nicolae Atodiresei
【Date & Time】04 June 2014 (Wednesday) 14:45 - 15:30
【Place】1F Auditorium, WPI-MANA bldg., Namiki site
【Speaker】Dr. Nicolae Atodiresei
【Affiliation】Peter Grunberg Institut and Institute for Advanced Simulation, Forschungszentrum Julich and JARA, Germany
【Title】Ab Initio Insights into Molecular Electronics and Spintronics
【Abstract】
Organic materials adsorbed on ferromagnetic surfaces offer the possibility to merge the concepts of organic electronics with spintronics in order to build future nanoscale data storage, sensing and computing multifunctional devices. Therefore, the ability to reliably describe the electronic properties of carbon-based materials adsorbed on magnetic surfaces is essential to understand and assist how to engineer specific functionalities in hybrid spintronic devices. Density functional theory studies can be used to understand how to tailor the magnetic properties of hybrid organic-ferromagnetic interfaces by adsorbing organic materials containing π-electrons onto several magnetic substrates. For such hybrid systems, the magnetic properties like molecular magnetic moments and their spatial orientation, spin-polarization and the magnetic exchange coupling can be specifically tuned by an appropriate choice of the organic material. Ultimately, this allows us to precisely engineer the magnetic properties of the hybrid organic-ferromagnetic interfaces, which can be further exploited to design more efficient spintronic devices based on organic materials.
【Contact】Dr. Ikutaro Hamada
【Place】1F Auditorium, WPI-MANA bldg., Namiki site
【Speaker】Dr. Nicolae Atodiresei
【Affiliation】Peter Grunberg Institut and Institute for Advanced Simulation, Forschungszentrum Julich and JARA, Germany
【Title】Ab Initio Insights into Molecular Electronics and Spintronics
【Abstract】
Organic materials adsorbed on ferromagnetic surfaces offer the possibility to merge the concepts of organic electronics with spintronics in order to build future nanoscale data storage, sensing and computing multifunctional devices. Therefore, the ability to reliably describe the electronic properties of carbon-based materials adsorbed on magnetic surfaces is essential to understand and assist how to engineer specific functionalities in hybrid spintronic devices. Density functional theory studies can be used to understand how to tailor the magnetic properties of hybrid organic-ferromagnetic interfaces by adsorbing organic materials containing π-electrons onto several magnetic substrates. For such hybrid systems, the magnetic properties like molecular magnetic moments and their spatial orientation, spin-polarization and the magnetic exchange coupling can be specifically tuned by an appropriate choice of the organic material. Ultimately, this allows us to precisely engineer the magnetic properties of the hybrid organic-ferromagnetic interfaces, which can be further exploited to design more efficient spintronic devices based on organic materials.
【Contact】Dr. Ikutaro Hamada
DFT modeling of transition metal-oxide water interfaces; Electrical double layers at high pH.
Prof. Michiel Sprik
【Date & Time】10 April 2014 (Thursday) 1000-1200 & 1400-1600
【Place】4F seminar room (#409-10), Collaborative Research Bldg., Namiki site, NIMS
【Speaker】Prof. Michiel Sprik
【Affiliation】Department of Chemistry, University of Cambridge, UK
【Title】
Lecture 1: 10:00 - 12:00
DFT modeling of transition metal-oxide water interfaces; Electrical double layers at high pH.
Lecture 2: 14:00 - 16:00
Activation of water and hydroxide adsorbed on metal-oxide water interfaces: Decoupling proton and electron transfer at high pH.
【Agenda】
The two lectures are closely related. The background is that all the (near) metallic "earth abundant" compounds applied in electrolysis and most semiconducting compounds used in photoelectrolysis are only stable at high pH and used in electrolytic solutions at pH 13-14 (typicaly 1 molar NaOH). This means the surface will be deprotonated and carry a negative charge compensated in an electrical double layer. How to model such a double layer (first lecture) and what is the effect on the oxidative dehydrognation of OH bonds (second lecture).
【Contact】Dr. Yoshitaka Tateyama
【Place】4F seminar room (#409-10), Collaborative Research Bldg., Namiki site, NIMS
【Speaker】Prof. Michiel Sprik
【Affiliation】Department of Chemistry, University of Cambridge, UK
【Title】
Lecture 1: 10:00 - 12:00
DFT modeling of transition metal-oxide water interfaces; Electrical double layers at high pH.
Lecture 2: 14:00 - 16:00
Activation of water and hydroxide adsorbed on metal-oxide water interfaces: Decoupling proton and electron transfer at high pH.
【Agenda】
The two lectures are closely related. The background is that all the (near) metallic "earth abundant" compounds applied in electrolysis and most semiconducting compounds used in photoelectrolysis are only stable at high pH and used in electrolytic solutions at pH 13-14 (typicaly 1 molar NaOH). This means the surface will be deprotonated and carry a negative charge compensated in an electrical double layer. How to model such a double layer (first lecture) and what is the effect on the oxidative dehydrognation of OH bonds (second lecture).
【Contact】Dr. Yoshitaka Tateyama