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Nano Letters, ISSN 1530-6984, 04/2009, Volume 9, Issue 4, pp. 1501 - 1505
Journal Article
Physical Review Letters, ISSN 0031-9007, 08/2009, Volume 103, Issue 7
Journal Article
Journal of Physical Chemistry C, ISSN 1932-7447, 07/2013, Volume 117, Issue 26, pp. 13435 - 13441
Using local, semilocal, and van der Waals energy-corrected density-functional theory (PBE + vdW) calculations, we present a comparative study of DNA... 
STACKED-GRAPHENE | BASES | MATERIALS SCIENCE, MULTIDISCIPLINARY | AB-INITIO | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | HEXAGONAL BORON-NITRIDE | NANOPORES | GRAPHITE | CRYSTAL | Naturvetenskap | Natural Sciences
Journal Article
Solid State Ionics, ISSN 0167-2738, 10/2013, Volume 247-248, p. 8
We have studied the Li-ion migration and the electrochemical performance of Li.sub.2FeSiO.sub.4 in the monoclinic crystal structure with P2.sub.1 symmetry and... 
Journal Article
Solid State Communications, ISSN 0038-1098, 11/2013, Volume 173, p. 9
Journal Article
RSC Advances, ISSN 2046-2069, 02/2018, Volume 8, Issue 12, pp. 6527 - 6531
The interfaces in 2D hybrids of graphene and h-BN provide interesting possibilities of adsorbing and manipulating atomic and molecular entities. In this paper,... 
FUNCTIONALIZATION | BORON-NITRIDE | NANOTUBES | BINDING | CHEMISTRY, MULTIDISCIPLINARY | DNA | Graphene | Graphical user interface | Density functional theory | Dipole moments | Orientation | Biosensors | Deoxyribonucleic acid--DNA | Hybrid structures | Naturvetenskap | Natural Sciences | Fysikalisk kemi | Physical Chemistry | Kemi | Chemical Sciences
Journal Article
Solid State Ionics, ISSN 1872-7689, 2013, Volume 247, p. 8
We have studied the Li-ion migration and the electrochemical performance of Li2FeSiO4 in the monoclinic crystal structure with P2(1) symmetry and the related... 
Fysik | Physical Sciences | Naturvetenskap | DFT | Natural Sciences | Batteries | Lithium diffusion
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 01/2016, Volume 55, Issue 1, pp. 345 - 352
The hydride NdGaH1+x (x ≈ 0.66) and its deuterized analogue were obtained by sintering the Zintl phase NdGa with the CrB structure in a hydrogen atmosphere at... 
Journal Article
Solid State Communications, ISSN 0038-1098, 2013, Volume 173, p. 9
In this paper we investigate lithium mobility in both Li2FeSiO4 and its   half-lithiated state LiFeSiO4 considering an orthorhombic crystal   structure. We... 
Condensed Matter Physics | Fysik | Physical Sciences | Materials Science | Naturvetenskap | Den kondenserade materiens fysik | Materialvetenskap | Natural Sciences
Journal Article
Nanotechnology, ISSN 0957-4484, 08/2016, Volume 27, Issue 36, pp. 365503 - 365503
The atomically-precise controlled synthesis of graphene stripes embedded in hexagonal boron nitride opens up new possibilities for the construction of... 
hybrid graphene/h-BN device | nanopore, nanoroad | electronic transport | density functional theory | nanosensor | Graphene | Boron nitride | Electronics | Nanotechnology devices | Conductance | Nanostructure | Detection | Carbon | nanoroad | Engineering and Technology | nanopore | Teknik och teknologier | Materials Engineering | Materialteknik
Journal Article
Nanoscale, ISSN 2040-3364, 2/2017, Volume 9, Issue 6, pp. 227 - 2212
Designing the next generation of solid-state biosensors requires developing detectors which can operate with high precision at the single-molecule level.... 
TRANSLOCATION | TRANSPORT | PHYSICS, APPLIED | NANORIBBONS | MATERIALS SCIENCE, MULTIDISCIPLINARY | GAS | NANOSCIENCE & NANOTECHNOLOGY | DNA NUCLEOTIDES | CHEMISTRY, MULTIDISCIPLINARY | ATOM | Graphene | Detectors | Chains | Nanostructure | Porosity | Nucleotides | Carbon | Sheets | Naturvetenskap | Natural Sciences
Journal Article
Applied Physics Letters, ISSN 1077-3118, 2008, Volume 92, Issue 2, p. 021907
We report a comprehensive first-principles study of the thermodynamics of the hydrogen release reaction from xLiH-yMg(NH2)(2) mixtures involving the... 
Fysik | Physical Sciences | Naturvetenskap | Natural Sciences | Physics
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 07/2015, Volume 92, Issue 3
Based on first-principles density-functional theory calculations, we present a comparative study of the electronic structures of ultranarrow zigzag graphene... 
MAGNETISM | PHYSICS, CONDENSED MATTER | TRANSPORT-PROPERTIES | HALF-METALLICITY | ZIGZAG GRAPHENE | GROWTH | NANOTUBES | HEXAGONAL BORON-NITRIDE | NANOROADS | EDGE | SHEETS | Asymmetry | Condensed matter | Graphene | Mathematical analysis | Boron nitride | Nanostructure | Composing | Magnetic properties | Fysik | Physical Sciences | Naturvetenskap | Natural Sciences
Journal Article
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 07/2007, Volume 76, Issue 3
We report the results of our first-principles investigation on the interaction of the nucleobases adenine (A), cytosine (C), guanine (G), thymine (T), and... 
MAGNETISM | PHYSICS, CONDENSED MATTER | FLUORESCENCE | WALLED CARBON NANOTUBES | DNA | magnetism | walled carbon nanotubes | fluorescence | dna
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 05/2009, Volume 79, Issue 17
Journal Article
INORGANIC CHEMISTRY, ISSN 0020-1669, 01/2016, Volume 55, Issue 1, pp. 345 - 352
The hydride NdGaH1+x (x approximate to 0.66) and its deuterized analogue were obtained by sintering the Zintl phase NdGa with the CrB structure in a hydrogen... 
AUGMENTED-WAVE METHOD | HYDRIDES | TOTAL-ENERGY CALCULATIONS | MAGNETIC-PROPERTIES | BASIS-SET | RGA | INITIO MOLECULAR-DYNAMICS | INTERMETALLIC COMPOUNDS | CHEMISTRY, INORGANIC & NUCLEAR | Naturvetenskap | Natural Sciences | Kemi | Chemical Sciences
Journal Article
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