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Publications by the Unit of Properties

H. Levämäki and L. Vitos, "Electron localization function implementation in the exact muffin-tin orbitals method," Physical Review B, vol. 103, no. 3, 2021.
D. Singh et al., "Mechanism of formaldehyde and formic acid formation on (101)-TiO2@Cu-4 systems through CO2 hydrogenation," Sustainable Energy & Fuels, vol. 5, no. 2, pp. 564-574, 2021.
J. Zhang, "Creep modeling and first-principles investigation of high-temperature alloys," Doctoral thesis Stockholm, Sweden : KTH Royal Institute of Technology, TRITA-ITM-AVL, 2021:4, 2021.
P. Pluengphon et al., "Formation of Lightweight Ternary Polyhydrides and Their Hydrogen Storage Mechanism," The Journal of Physical Chemistry C, vol. 125, no. 3, pp. 1723-1730, 2021.
V. Shukla et al., "Electronic and Transport Properties of Bilayer Phosphorene Nanojunction : Effect of Paired Substitution Doping," ACS APPLIED ELECTRONIC MATERIALS, vol. 3, no. 2, pp. 733-742, 2021.
T. Kaewmaraya et al., "Novel green phosphorene as a superior chemical gas sensing material," Journal of Hazardous Materials, vol. 401, 2021.
H. R. Mahida et al., "Hydrogenation and oxidation enhances the thermoelectric performance of Si2BN monolayer," New Journal of Chemistry, vol. 45, no. 8, pp. 3892-3900, 2021.
M. C. Sahu et al., "Effect of Charge Injection on the Conducting Filament of Valence Change Anatase TiO2 Resistive Random Access Memory Device," Journal of Physical Chemistry Letters, vol. 12, no. 7, pp. 1876-1884, 2021.
X. Sun et al., "Can experiment determine the stacking fault energy of metastable alloys?," Materials & design, vol. 199, 2021.
Z. Dong et al., "Invariant plastic deformation mechanism in paramagnetic nickel-iron alloys," Proceedings of the National Academy of Sciences of the United States of America, vol. 118, no. 14, 2021.
M. M. Hoseini-Athar et al., "Microstructure and superplasticity of Mg-2Gd-xZn alloys processed by equal channel angular pressing," Materials Science & Engineering : A, vol. 808, 2021.
L. Tian et al., "Alloying effect on the order-disorder transformation in tetragonal FeNi," Scientific Reports, vol. 11, no. 1, 2021.
P. D. Bhuyan et al., "Metallic one-dimensional heterostructure for gas molecule sensing," Scientific Reports, vol. 11, no. 1, 2021.
P. Panigrahi et al., "Enhancing energy storage efficiency of lithiated carbon nitride (C7N6) monolayers under co-adsorption of H-2 and CH4," International journal of hydrogen energy, vol. 46, no. 38, pp. 19988-19997, 2021.
Z. Yang et al., "Assessing the magnetic order dependent gamma-surface of Cr-Co-Ni alloys," Journal of Materials Science & Technology, vol. 80, pp. 66-74, 2021.
B. R. Sahoo et al., "Degradation of Alzheimer's Amyloid-β by a Catalytically Inactive Insulin-Degrading Enzyme," Journal of Molecular Biology, vol. 433, no. 13, 2021.
Y. Yang et al., "Ab initio study of the elastic properties of body-centered cubic Ti-Mo-based alloys," Computational materials science, vol. 172, 2020.
S. S. Deshpande et al., "Investigating CO2 storage properties of C2N monolayer functionalized with small metal clusters," Journal of CO2 Utilization, vol. 35, pp. 1-13, 2020.
R. Gupta et al., "Engineering of spin mixing conductance at Ru/FeCo/Ru interfaces : Effect of Re doping," Physical Review B, vol. 101, no. 2, 2020.
Y. W. Choi et al., "Predicting the stacking fault energy of austenitic Fe-Mn-Al (Si) alloys," Materials & design, vol. 187, 2020.
S. Wengerowsky et al., "Passively stable distribution of polarisation entanglement over 192 km of deployed optical fibre," NPJ QUANTUM INFORMATION, vol. 6, no. 1, 2020.
P. Panigrahi et al., "Remarkable improvement in hydrogen storage capacities of two-dimensional carbon nitride (g-C3N4) nanosheets under selected transition metal doping," International journal of hydrogen energy, vol. 45, no. 4, pp. 3035-3045, 2020.
P. K. Panda et al., "Progress in supercapacitors : Roles of two dimensional nanotubular materials," Nanoscale Advances, vol. 2, no. 1, pp. 70-108, 2020.
D. Singh et al., "Carbon-phosphide monolayer with high carrier mobility and perceptible I-V response for superior gas sensing," New Journal of Chemistry, vol. 44, no. 9, pp. 3777-3785, 2020.
S. Iubini et al., "Dephasing-Assisted Macrospin Transport," Entropy, vol. 22, no. 2, 2020.
P. Mishra et al., "Enhancement of hydrogen storage capacity on co-functionalized GaS monolayer under external electric field," International journal of hydrogen energy, vol. 45, no. 22, pp. 12384-12393, 2020.
X. Zhao et al., "Strain-Engineered Metal-Free h-B2O Monolayer as a Mechanocatalyst for Photocatalysis and Improved Hydrogen Evolution Reaction," The Journal of Physical Chemistry C, vol. 124, no. 14, pp. 7884-7892, 2020.
D. Singh et al., "Van der Waals induced molecular recognition of canonical DNA nucleobases on a 2D GaS monolayer," Physical Chemistry, Chemical Physics - PCCP, vol. 22, no. 12, pp. 6706-6715, 2020.
D. Liu et al., "Synthesizing BaTiO3 Nanostructures to Explore Morphological Influence, Kinetics, and Mechanism of Piezocatalytic Dye Degradation," ACS Applied Materials and Interfaces, vol. 12, no. 15, pp. 17443-17451, 2020.
X. Li, "Materials for advanced energy technology from quantum-mechanical modeling," Doctoral thesis : KTH Royal Institute of Technology, TRITA-ITM-AVL, 18, 2020.
Full list in the KTH publications portal
Belongs to: Materials Science and Engineering
Last changed: May 19, 2021