Search results for "materiaalitiede"
showing 5 items of 5 documents
Structural stability of DNA origami nanostructures under application-specific conditions
2018
With the introduction of the DNA origami technique, it became possible to rapidly synthesize almost arbitrarily shaped molecular nanostructures at nearly stoichiometric yields. The technique furthermore provides absolute addressability in the sub-nm range, rendering DNA origami nanostructures highly attractive substrates for the controlled arrangement of functional species such as proteins, dyes, and nanoparticles. Consequently, DNAorigami nanostructures have found applications in numerous areas of fundamental and applied research, ranging from drug delivery to biosensing to plasmonics to inorganic materials synthesis. Since many of those applications rely on structurally intact, well-defin…
Rippling of two-dimensional materials by line defects
2020
Two-dimensional materials and their mechanical properties are known to be profoundly affected by rippling deformations. However, although ripples are fairly well understood, less is known about their origin and controlled modification. Here, motivated by recent reports of laser-controlled creation of line defects in graphene, we investigate how line defects could be used to control rippling in graphene and other two-dimensional materials. By sequential multi-scale coupling of density-functional tight-binding and continuum elasticity simulations, we quantify the amount of rippling when the number and the cumulative length of the line defects increase. Simulations show that elastic sheets wit…
CLEASE: a versatile and user-friendly implementation of cluster expansion method
2018
Materials exhibiting a substitutional disorder such as multicomponent alloys and mixed metal oxides/oxyfluorides are of great importance in many scientific and technological sectors. Disordered materials constitute an overwhelmingly large configurational space, which makes it practically impossible to be explored manually using first-principles calculations such as density functional theory due to the high computational costs. Consequently, the use of methods such as cluster expansion (CE) is vital in enhancing our understanding of the disordered materials. CE dramatically reduces the computational cost by mapping the first-principles calculation results on to a Hamiltonian which is much fa…
Kaliksareeneilla päällystetyt kultananopartikkelit
2011
Pro gradu -tutkielmassa kerrotaan, mitä tällä hetkellä tiedetään kaliksareeneilla päällystettyjen kultananopartikkeleiden rakenteesta. Lisäksi käsitellään partikkelien valmistusta joko suorilla menetelmillä tai valmiisiin kultananopartikkeleihin tehdyllä ligandinvaihdolla ja kerrotaan valmistettujen partikkelien karakterisointimenetelmistä. Tutkielmassa perehdytään myös kaliksareeneilla päällystettyjen kultananopartikkelien sovelluksiin materiaalitieteissä, tunnistuksessa ja havaitsemisessa, katalyysissä ja sitoutumisessa biologisiin rakenteisiin. Kokeellisessa osassa pyrittiin valmistamaan resorsinareeneja, pyrogallareeneja ja kultananopartikkeleita ligandinvaihtoa varten.
Selective Laser Sintering of Metal-Organic Frameworks: Production of Highly Porous Filters by 3D Printing onto a Polymeric Matrix.
2019
Metal‐organic frameworks (MOFs) have raised a lot of interest, especially as adsorbing materials, because of their unique and well‐defined pore structures. One of the main challenges in the utilization of MOFs is their crystalline and powdery nature, which makes their use inconvenient in practice. Three‐dimensional printing has been suggested as a potential solution to overcome this problem. We used selective laser sintering (SLS) to print highly porous flow‐through filters containing the MOF copper(II) benzene‐1,3,5‐tricarboxylate (HKUST‐1). These filters were printed simply by mixing HKUST‐1 with an easily printable nylon‐12 polymer matrix. By using the SLS, powdery particles were fused t…