Oleksandr Malyi

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Username
Visiting address Gaustadalléen 23C MiNaLab 0373 OSLO
Postal address Postboks 1048 Blindern 0316 OSLO

Research expertise

We use world-leading and very powerful computer simulation tools as well as knowledge in solid-state physics to develop the understanding of perspective materials for energy storage and conversion with a primary focus on low-dimensional and amorphous semiconductors. Working closely with leading experimental and theoretical groups around the world, we develop strategies for programming materials for application in solar cells and metal-ion batteries.

Academic qualifications
2013 Ph.D. Degree, School of Materials Science and Engineering, Nanyang Technological University, Singapore
2010 Master’s Degree in Solid State Physics, Department of Physics, Cherkasy National University, Ukraine
2008 Bachelor’s Degree in Physics, Department of Physics, Cherkasy National University, Ukraine

Publications
44 published works are published in leading international journals (e.g., Advanced Materials, Advanced Energy Materials, Nano Energy, Angewandte Chemie, Nanoscale, Journal of Power Sources, Journal of Materials Chemistry, Physical Chemistry Chemical Physics, Physical Review B)
>25 papers are without Ph.D. supervisor, >25 publications are published within last 5 years 
19 publications are as first/corresponding/equal contribution author  
3 manuscripts are submitted, 5 drafts are in preparation
2 papers are the top 1% of the field of Chemistry during 2017 according to Web of Science
One paper was chosen by the editors as hot paper in Angewandte Chemie International Edition
One paper was included in the top ten list of the highest impact research papers of 2015 at Royal Institute of Technology (Sweden)

Reviewer for international journals: Energy & Environmental Science, 2D Materials, Journal of Physical Chemistry C, Physical Chemistry Chemical Physics, RSC Advances, New Journal of Chemistry, Journal of Alloys and Compounds, Journal of Physics D: Applied Physics, Journal of Physics of Condensed Matter, Computational Materials Science, Materials Chemistry and Physics, Physica E: Low-dimensional Systems and Nanostructures, Surface Science, Physics Letters A, Thin Solid Films, Physica Status Solidi B: Basic Solid State Physics, Chemical Physics, Nanoscience and Nanotechnology Letters, Modern Physics Letters B, Materials Research Innovations

 

Tags: Computational Materials Science, Batteries, Nano materials, Diffusion

Publications

  • Malyi, Oleksandr; Sopiha, Kostiantyn; Radchenko, Ihor; Wu, Ping & Persson, Clas (2018). Tailoring electronic properties of multilayer phosphorene by siliconization. Physical Chemistry, Chemical Physics - PCCP.  ISSN 1463-9076.  20, s 2075
  • Boström, Mathias; Malyi, Oleksandr; Parashar, Prachi; Shajesh, Kuloth Vayalombron; Thiyam, Priyadarshini; Milton, Kimball A.; Persson, Clas; Parsons, Drew F. & Brevik, Iver Håkon (2017). Lifshitz interaction can promote ice growth at water-silica interfaces. Physical Review B.  ISSN 2469-9950.  95(15) . doi: 10.1103/PhysRevB.95.155422 Full text in Research Archive.
  • Malyi, Oleksandr; Sopiha, Kostiantyn; Draxl, Claudia & Persson, Clas (2017). Stability and electronic properties of phosphorene oxides: from 0-dimensional to amorphous 2-dimensional structures. Nanoscale.  ISSN 2040-3364.  9(7), s 2428- 2435 . doi: 10.1039/c6nr08810d
  • Sopiha, Kostiantyn; Malyi, Oleksandr; Persson, Clas & Wu, Ping (2017). Band gap modulation of SrTiO3 upon CO2 adsorption. Physical Chemistry, Chemical Physics - PCCP.  ISSN 1463-9076.  19(25), s 16629- 16637 . doi: 10.1039/c7cp01462g
  • Tang, Yuxin; Deng, Jiyang; Li, Wenlong; Malyi, Oleksandr; Zhang, Yanyan; Zhou, Xinran; Pan, Shaowu; Wei, Jiaqi; Cai, Yurong; Chen, Zhong & Chen, Xiaodong (2017). Water-soluble sericin protein enabling stable solid-electrolyte interphase for fast charging high voltage battery electrode. Advanced Materials.  ISSN 0935-9648.  29 . doi: 10.1002/adma.201701828
  • Zhang, Yanyan; Malyi, Oleksandr; Tang, Yuxin; Wei, Jiaqi; Zhu, Zhiqiang; Xia, Huarong; Li, Wenlong; Guo, Jia; Zhou, Xinran; Chen, Zhong; Persson, Clas & Chen, Xiaodong (2017). Reducing the Charge Carrier Transport Barrier in Functionally Layer-Graded Electrodes. Angewandte Chemie International Edition.  ISSN 1433-7851.  56(47), s 14847- 14852 . doi: 10.1002/anie.201707883
  • Malyi, Oleksandr; Boström, Mathias; Kulish, Vadym; Thiyam, Priyadarshini; Parsons, Drew F. & Persson, Clas (2016). Volume dependence of dielectric properties of amorphous SiO2. Physical Chemistry, Chemical Physics - PCCP.  ISSN 1463-9076.  18(10), s 7483- 7489 . doi: 10.1039/c5cp06775h
  • Thiyam, Priyadarshini; Lima, Eduardo R. A.; Malyi, Oleksandr; Parsons, Drew F.; Buhmann, Stefan Yoshi; Persson, Clas & Boström, Mathias (2016). Effects of van der Waals forces and salt ions on the growth of water films on ice and the detachment of CO2 bubbles. Europhysics letters.  ISSN 0295-5075.  113, s 43002 . doi: 10.1209/0295-5075/113/43002
  • Boström, Mathias; Malyi, Oleksandr; Thiyam, Priyadarshini; Berland, Kristian; Brevik, Iver Håkon; Persson, Clas & Parsons, Drew F. (2016). The influence of Lifshitz forces and gas on premelting of ice within porous materials. Europhysics letters.  ISSN 0295-5075.  115(1) . doi: 10.1209/0295-5075/115/13001 Full text in Research Archive.
  • Rui, Xianhong; Tang, Yuxin; Malyi, Oleksandr; Gusak, Andriy; Zhang, Yanyan; Niu, Zhiqiang; Tan, Hui Teng; Persson, Clas; Chen, Xiaodong; Chen, Zhong & Yan, Qingyun (2016). Ambient dissolution-recrystallization towards large-scale preparation of V2O5 nanobelts for high-energy battery applications. Nano Energy.  ISSN 2211-2855.  22, s 583- 593 . doi: 10.1016/j.nanoen.2016.03.001
  • Boström, Mathias; Dou, Maofeng; Thiyam, Priyadarshini; Parsons, Drew F.; Malyi, Oleksandr & Persson, Clas (2015). Increased porosity turns desorption to adsorption for gas bubbles near water-SiO2, interface. Physical Review B. Condensed Matter and Materials Physics.  ISSN 1098-0121.  91:075403, s 1- 5 . doi: 10.1103/PhysRevB.91.075403
  • Kulish, Vadym; Malyi, Oleksandr; Persson, Clas & Wu, Ping (2015). Adsorption of metal adatoms on single-layer phosphorene. Physical Chemistry, Chemical Physics - PCCP.  ISSN 1463-9076.  17(2), s 992- 1000 . doi: 10.1039/c4cp03890h
  • Kulish, Vadym; Malyi, Oleksandr; Persson, Clas & Wu, Ping (2015). Phosphorene as anode material for Na-ion batteries: a first-principles study. Physical Chemistry, Chemical Physics - PCCP.  ISSN 1463-9076.  17, s 13921- 13928 . doi: 10.1039/C5CP01502B
  • Legrain, Fleur; Malyi, Oleksandr; Persson, Clas & Manzhos, Sergei (2015). Comparison of alpha and beta tin for lithium, sodium, and magnesium storage: An ab initio study including phonon contributions. Journal of Chemical Physics.  ISSN 0021-9606.  143(20) . doi: 10.1063/1.4936284
  • Malyi, Oleksandr; Sopiha, Kostiantyn; Kulish, Vadym; Tan, Teck L.; Manzhos, Sergei & Persson, Clas (2015). A computational study of Na behavior on graphene. Applied Surface Science.  ISSN 0169-4332.  333, s 235- 243 . doi: 10.1016/j.apsusc.2015.01.236
  • Malyi, Oleksandr; Thiyam, Priyadarshini; Boström, Mathias & Persson, Clas (2015). A first principles study of CO2 adsorption on α-SiO2(001) surfaces. Physical Chemistry, Chemical Physics - PCCP.  ISSN 1463-9076.  17(31), s 20125- 20133 . doi: 10.1039/c5cp02279g
  • Thiyam, Priyadarshini; Malyi, Oleksandr; Persson, Clas; Buhmann, Stefan Yoshi; Parsons, Drew F. & Boström, Mathias (2015). Effective Lennard-Jones parameters for CO2-CO2 dispersion interactions in water and near amorphous silica-water interfaces. Progress in Electromagnetics Research Symposium.  ISSN 1559-9450.  2015-January, s 1289- 1296
  • Thiyam, Priyadarshini; Parashar, Prachi; Shajesh, K. V.; Persson, Clas; Schaden, Martin; Brevik, Iver Håkon; Parsons, Drew F.; Milton, Kimball A.; Malyi, Oleksandr & Boström, Mathias (2015). Anisotropic contribution to the van der Waals and the Casimir-Polder energies for CO2 and CH4 molecules near surfaces and thin film. Physical Review A. Atomic, Molecular, and Optical Physics.  ISSN 1050-2947.  92(5) . doi: 10.1103/PhysRevA.92.052704 Full text in Research Archive.
  • Legrain, Fleur; Malyi, Oleksandr & Manzhos, Sergei (2015). Insertion energetics of lithium, sodium, and magnesium in crystalline and amorphous titanium dioxide: A comparative first-principles study. Journal of Power Sources.  ISSN 0378-7753.  278, s 197- 202
  • Malyi, Oleksandr; Kulish, Vadym & Persson, Clas (2014). In search of new reconstructions of (001) α-quartz surface: a first principles study. RSC Advances.  ISSN 2046-2069.  4(98), s 55599- 55603 . doi: 10.1039/c4ra10726h

View all works in Cristin

  • Malyi, Oleksandr; Chen, Rongzhen & Persson, Clas (2017). Tailoring electronic and optical properties of semiconductors by amorphization.
  • Malyi, Oleksandr; Sopiha, Kostiantyn & Persson, Clas (2017). Utilization of phosphorene reactivity to tailor electronic properties of low-dimensional P-based systems.
  • Sopiha, Kostiantyn; Malyi, Oleksandr; Persson, Clas & Wu, Ping (2017). Effect of CO2 Adsorption on the Work Functions of SrTiO3(001) Surfaces.
  • Sopiha, Kostiantyn; Malyi, Oleksandr; Persson, Clas & Wu, Ping (2017). Non-ionizing CO2 sensing with perovskite surfaces.
  • Thiyam, Priyadarshini; Parashar, Prachi; Shajesh, Kuloth Vayalombron; Malyi, Oleksandr; Boström, Mathias; Milton, Kimball A.; Brevik, Iver Håkon & Persson, Clas (2017). Modeling of dielectric properties of 2D phosphorene using density functional theory (DFT) for study of long-range van der Waals interaction.
  • Malyi, Oleksandr; Boström, Mathias; Kulish, Vadym; Thiyam, Priyadarshini; Parsons, Drew F. & Persson, Clas (2016). Dielectric properties of amorphous SiO2 and their link with those of other SiO2 polymorphs.
  • Thiyam, Priyadarshini; de Almeida Lima, Eduardo; Malyi, Oleksandr; Parsons, Drew F.; Buhmann, Stefan Yoshi; Persson, Clas & Boström, Mathias (2016). Effect of Lifshitz and van der Waals forces on bubbles and ice melting.
  • Legrain, Fleur; Malyi, Oleksandr & Sergei, Manzhos (2015). Ab initio study of Li, Na, and Mg storage in different phases of TiO2.
  • Malyi, Oleksandr & Persson, Clas (2015). Analysis of CO2 adsorption at α-SiO2(001) surface.
  • Malyi, Oleksandr & Persson, Clas (2015). CO2 at alpha-quartz(001) surface: a first-principles study.
  • Thiyam, Priyadarshini; Malyi, Oleksandr; Persson, Clas; Buhmann, Stefan Yoshi; Parsons, Drew F. & Boström, Mathias (2015). Effective Lennard-Jones parameters for CO2-CO2 dispersion interactions in water and near amorphous SiO2-water interfaces.
  • Malyi, Oleksandr & Persson, Clas (2014). First principles calculations of the molecular adsorption on reconstructed and unreconstructed α-SiO2(001) surfaces.

View all works in Cristin

Published Oct. 8, 2014 3:27 PM - Last modified Feb. 6, 2018 1:03 AM