Vajeeston Ponniah

Associate Professor - Department of Chemistry
Image of Vajeeston Ponniah
Norwegian version of this page
Phone +47 22855613
Room ØK 34
Username
Visiting address Sem Sælands vei 26 Kjemibygningen 0371 Oslo
Postal address Postboks 1033 Blindern 0315 Oslo

Research Interests


The focus of my research is electronic structure calculations with special attention to the modeling of nanostructures systems and their interaction with the surfaces. In particular I am interested in modeling various properties of bulk, surfaces, nano objects of inorganic and organic molecular materials, which are potential candidates for novel and environmental-friendly technologies. My calculations are performed by means of Density Functional Theory, and I utilize several methods for the computation of different properties as well as dimension of the system (like 1D: molecules/clusters, 2D: thin films, and 3D: periodic crystals). I work in close collaboration with experimental groups both in Norway and from other countries.


At present I am working as a senior researcher in the SiALD (Novel Silicon deposition processes by ALD) project, funded by Research Council of Norway. The aim of the project is to develop cheap, scalable processes for silicon containing materials applicable in photovoltaic processes of next generation solar cells. My role on this project is to hunt for potential Si-precursor that shows positive indications for ALD reactivity and to understand/explain the mechanism behind the Si-based ALD processes.

 

Personal homepage

http://folk.uio.no/ponniahv/

 


 

Tags: SMN, Inorganic materials chemistry

Publications

  • Wanniarachchi, Chapa; Eidsvåg, Håkon; Arunasalam, Thevakaran; Ravirajan, Punniamoorthy; Velauthapillai, Dhayalan & Ponniah, Vajeeston (2024). Deep insight into structural and optoelectronic properties of mixed anion perovskites. Materials Research Express. ISSN 2053-1591. 11(2). doi: 10.1088/2053-1591/ad1f98.
  • Yartys, Volodymyr; Denys, Roman Volodymyrovich; Akselrud, Lev G.; Ponniah, Vajeeston; Dankelman, Robert & Plomp, Jeroen [Show all 11 contributors for this article] (2024). Structure and bonding in TiNiSi type LaMgSnH intermetallic hydride. Journal of Alloys and Compounds. ISSN 0925-8388. 976. doi: 10.1016/j.jallcom.2023.173198.
  • Balakrishnan, Kanimozhi; Veerapandy, Vasu & Ponniah, Vajeeston (2023). The optical properties and spectroscopic limited maximum efficiency of SnO<inf>2</inf> polymorphs for solar cell applications: A first-principles analysis. Computational condensed matter. ISSN 2352-2143. 37. doi: 10.1016/j.cocom.2023.e00856.
  • Ganesan, Kalaiselvan; Ponniah, Vajeeston; Yao, Jiyong; Vohra, Yogesh K. & Sonachalam, Arumugam (2023). Appearance of semiconductor-to-metal transition in Ba<inf>2</inf>BiFeSe<inf>5</inf> single crystal: A combined DFT and transport analysis under pressure. Journal of Materials Research. ISSN 0884-2914. doi: 10.1557/s43578-023-01235-y.
  • Wanniarachchi, Chapa; Arunasalam, Thevakaran; Ravirajan, Punniyamoorthy; Velauthapillai, Dhayalan & Ponniah, Vajeeston (2023). Hybrid Functional Study on Electronic and Optical Properties of the Dopants in Anatase TiO<inf>2</inf>. ACS Omega. ISSN 2470-1343. 8(45), p. 42275–42289. doi: 10.1021/acsomega.3c04329. Full text in Research Archive
  • Pappathi, Murugan; Ponniah, Vajeeston; Sahaya Raja, Antony Samy; Vignesh, Asokan; Syed, Asad & Bahkali, Ali H. [Show all 11 contributors for this article] (2023). Trimetallic ZIF-Derived Ni-Cu/NC Rhombic Dodecahedron Nanostructures on Butter Sheet Paper as a Flexible Electrochemical Probe for Nonenzymatic Glucose Sensors. ACS Applied Nano Materials. ISSN 2574-0970. 6(16), p. 14628–14644. doi: 10.1021/acsanm.3c01489.
  • Yartys, Volodymyr; Ponniah, Vajeeston; Denys, Roman Volodymyrovich; Havela, L.; Maskova-Cerna, S. & Szytula, A. (2023). Bonding mechanism and magnetic ordering in Laves phase λ1−MgCo2 intermetallic compound from theoretical and experimental studies. Scripta Materialia. ISSN 1359-6462. 237. doi: 10.1016/j.scriptamat.2023.115709. Full text in Research Archive
  • Eidsvåg, Håkon; Ponniah, Vajeeston & Velauthapillai, Dhayalan (2023). Doped MoS<inf>2</inf> Polymorph for an Improved Hydrogen Evolution Reaction. ACS Omega. ISSN 2470-1343. 8(29), p. 26263–26275. doi: 10.1021/acsomega.3c02623. Full text in Research Archive
  • Banu S, Lathifa; Veerapandy, Vasu; Fjellvåg, Helmer & Ponniah, Vajeeston (2023). First-Principles Insights into the Relative Stability and Physical and Chemical Properties of MoSe2. ACS Omega. ISSN 2470-1343. 8(15), p. 13799–13812. doi: 10.1021/acsomega.2c08217. Full text in Research Archive
  • Devamanoharan, Arthi; Veerapandy, Vasu & Ponniah, Vajeeston (2023). Structural, Electronic Properties, and Relative Stability Studies of Low-Energy Indium Oxide Polytypes Using First-Principles Calculations. ACS Omega. ISSN 2470-1343. 8(14), p. 12928–12943. doi: 10.1021/acsomega.3c00105. Full text in Research Archive
  • Mariappan, Sathiskumar; Bhoi, Dilip; Krishnan, Manikandan; Shoko, Nagasaki; Ponniah, Vajeeston & Arushi, NN [Show all 10 contributors for this article] (2023). Electronic properties of α -Mn-type non-centrosymmetric superconductor Re<inf>5.5</inf>Ta under hydrostatic pressure. Superconductors Science and Technology. ISSN 0953-2048. 36(2). doi: 10.1088/1361-6668/aca83e.
  • Yartys, Volodymyr; Berezovets, Vasyl; Ponniah, Vajeeston; Akselrud, Lev G.; Antonov, Vladimir & Fedotov, Vladimir [Show all 13 contributors for this article] (2022). Hydrogen induced structural phase transformation in ScNiSn-based intermetallic hydride characterized by experimental and computational studies. Acta Materialia. ISSN 1359-6454. 244. doi: 10.1016/j.actamat.2022.118549. Full text in Research Archive
  • Sottmann, Jonas; Ruud, Amund; Fjellvåg, Øystein; Vaughan, Gavin B. M.; Di Michel, Marco & Fjellvåg, Helmer [Show all 9 contributors for this article] (2022). 5D total scattering computed tomography reveals the full reaction mechanism of a bismuth vanadate lithium ion battery anode. Physical Chemistry, Chemical Physics - PCCP. ISSN 1463-9076. 24(44), p. 27075–27085. doi: 10.1039/d2cp03892g. Full text in Research Archive
  • Lingannan, Govindaraj; Joseph, Boby; Kuo, Chia Nung; Lue, Chin Shan; Ponniah, Vajeeston & Sonachalam, Arumugam (2022). Differing pressure response of lattice structure in LaTMSb<inf>2</inf> (TM = Au or Ag) ternary antimonides. Bulletin of Materials Science. ISSN 0250-4707. 45(4). doi: 10.1007/s12034-022-02778-2.
  • Thøgersen, Rasmus Vester; Bianchini, Federico; Fjellvåg, Helmer & Ponniah, Vajeeston (2022). Antifluorite-type Na<inf>5</inf>FeO<inf>4</inf> as a low-cost, environment-friendly cathode with combined cationic/anionic redox activity for sodium ion batteries: a first-principles investigation. RSC Advances. ISSN 2046-2069. 12(27), p. 17410–17421. doi: 10.1039/d2ra01834a. Full text in Research Archive
  • Devamanoharan, Arthi; Veerapandy, Vasu & Ponniah, Vajeeston (2022). Computational study on electronic and thermal stability of low energy indium oxide polytypes. Materials Today: Proceedings. ISSN 2214-7853. 64, p. 1803–1807. doi: 10.1016/j.matpr.2022.06.078. Full text in Research Archive
  • Lathifa Banu, Banu; Veerapandy, Vasu & Ponniah, Vajeeston (2022). Structural stability and electronical properties of MoSe<inf>2</inf> polymorphs: DFT. Materials Today: Proceedings. ISSN 2214-7853. 64, p. 1808–1812. doi: 10.1016/j.matpr.2022.06.079.
  • Balakrishnan, Kanimozhi; Veerapandi, Vasu & Ponniah, Vajeeston (2022). High pressure structural phase transition and thermodynamic properties of SnO<inf>2</inf> polymorphs: First principles calculation. Materials Today: Proceedings. ISSN 2214-7853. 64, p. 1798–1802. doi: 10.1016/j.matpr.2022.06.075.
  • Mariappan, Sathiskumar; Krishnan, Manikandan; Bhoi, Dilip; Ma, Hanming; Gouchi, Jun & Motla, Kapil [Show all 10 contributors for this article] (2022). Superconducting and structural properties of the noncentrosymmetric Re6Hf superconductor under high pressure. Physical review B (PRB). ISSN 2469-9950. 105(22). doi: 10.1103/PhysRevB.105.224505.
  • Wanniarachchi, Chapa; Eidsvåg, Håkon; Arunasalam, Thevakaran; Ravirajan, Punniamoorthy; Velauthapillai, Dhayalan & Ponniah, Vajeeston (2022). Cs2AgBiBr6 as a mixed anion perovskites for photovoltaic applications: A first-principle study. Materials Today: Proceedings. ISSN 2214-7853. 64(Part 5), p. 1783–1788. doi: 10.1016/j.matpr.2022.06.063.
  • Balakrishnan, Kanimozhi; Veerapandy, Vasu; Fjellvåg, Helmer & Ponniah, Vajeeston (2022). First-Principles Exploration into the Physical and Chemical Properties of Certain Newly Identified SnO<inf>2</inf>Polymorphs. ACS Omega. ISSN 2470-1343. 7(12), p. 10382–10393. doi: 10.1021/acsomega.1c07063.
  • Mayandi, Jeyanthinath; Finstad, Terje Gunnar; Dahl, Øystein; Ponniah, Vajeeston; Schrade, Matthias & Løvvik, Ole Martin [Show all 8 contributors for this article] (2022). Thin films made by reactive sputtering of high entropy alloy FeCoNiCuGe: Optical, electrical and structural properties. Thin Solid Films. ISSN 0040-6090. 744(139083). doi: 10.1016/j.tsf.2022.139083. Full text in Research Archive
  • Mayandi, Jeyanthinath; Schrade, Matthias; Ponniah, Vajeeston; Stange, Marit Synnøve Sæverud; Lind, Anna Maria & Sunding, Martin Fleissner [Show all 13 contributors for this article] (2022). High entropy alloy CrFeNiCoCu sputter deposited films: Structure, electrical properties, and oxidation. Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films. ISSN 0734-2101. 40. doi: 10.1116/6.0001394. Full text in Research Archive
  • Brennhagen, Anders; Cavallo, Carmen; Wragg, David Stephen; Ponniah, Vajeeston; Sjåstad, Anja Olafsen & Koposov, Alexey [Show all 7 contributors for this article] (2022). Operando XRD studies on Bi2MoO6 as anode material for Na-ion batteries. Nanotechnology. ISSN 0957-4484. 33(18). doi: 10.1088/1361-6528/ac4eb5. Full text in Research Archive
  • Azarov, Alexander; Bazioti, Kalliopi; Venkatachalapathy, Vishnukanthan; Ponniah, Vajeeston; Monakhov, Eduard & Kuznetsov, Andrej (2022). Disorder-Induced Ordering in Gallium Oxide Polymorphs. Physical Review Letters. ISSN 0031-9007. 128(1). doi: 10.1103/PhysRevLett.128.015704. Full text in Research Archive
  • Murugesan, Kannan; Lingannan, Govindaraj; Ishigaki, Kento; Uwatoko, Yoshiya; Sekine, Chihiro & Kawamura, Yukihiro [Show all 12 contributors for this article] (2021). Pressure Dependence of Superconducting Properties, Pinning Mechanism, and Crystal Structure of the Fe0.99Mn0.01Se0.5Te0.5 Superconductor. ACS Omega. ISSN 2470-1343. 6(45), p. 30419–30431. doi: 10.1021/acsomega.1c03721. Full text in Research Archive
  • Vignesh, A.; Ponniah, Vajeeston; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Xia, Yang & kumar, G. Gnana (2021). Bimetallic metal-organic framework derived 3D hierarchical NiO/Co3O4/C hollow microspheres on biodegradable garbage bag for sensitive, selective, and flexible enzyme-free electrochemical glucose detection. Chemical Engineering Journal. ISSN 1385-8947. 430(4). doi: 10.1016/j.cej.2021.133157.
  • Kalaiselvan, Ganesan; Govindaraj, Lingannan; Kannan, Murugesan; Christopher S., Perreault; Gopi K., Samudrala & Pankaj Kumar, Maheshwari [Show all 10 contributors for this article] (2021). Pressure‑induced structural transition and huge enhancement of superconducting properties of single‑crystal Fe0.99Ni0.01Se0.5Te0.5 unconventional superconductor . Journal of Materials Research. ISSN 0884-2914. 36, p. 1624–1636. doi: 10.1557/s43578-021-00110-y. Full text in Research Archive
  • Govindaraj, Lingannan; Boby, Joseph; Vajeeston, Ponniah; Chia Nung, Kuo; Chin Shan, Lue & Ganesan, Kalaiselvan [Show all 8 contributors for this article] (2021). Pressure-dependent modifications in the LaAuSb2 charge density wave system. Physical review B (PRB). ISSN 2469-9950. 103. doi: 10.1103/PhysRevB.103.195126. Full text in Research Archive
  • Selvapriya, R.; Sasirekha, V.; Vajeeston, Ponniah; Pearce, Joshua M. & Mayandi, J. (2021). Reaction induced multifunctional TiO2 rod/particle nanostructured materials for screen printed dye sensitized solar cells. Ceramics International. ISSN 0272-8842. 47(6), p. 8094–8104. doi: 10.1016/j.ceramint.2020.11.164.
  • Ek, Gustav; Fjellvåg, Øystein; Vajeeston, Ponniah; Armstrong, Jeff; Sahlberg, Martin & Häussermann, Ulrich (2021). Vibrational properties of High Entropy Alloy based metal hydrides probed by inelastic neutron scattering. Journal of Alloys and Compounds. ISSN 0925-8388. 877, p. 1–7. doi: 10.1016/j.jallcom.2021.160320. Full text in Research Archive
  • Eidsvåg, Håkon; Rasukkannu, Murugesan; Velauthapillai, Dhayalan & Vajeeston, Ponniah (2021). In-depth first-principle study on novel MoS2 polymorphs. RSC Advances. ISSN 2046-2069. 11(6), p. 3759–3769. doi: 10.1039/d0ra10443d. Full text in Research Archive
  • Nygård, Magnus Moe; Fjellvåg, Øystein; Sørby, Magnus Helgerud; Sakaki, Kouji; Ikeda, Kazutaka & Armstrong, Jeff [Show all 12 contributors for this article] (2021). The average and local structure of TiVCrNbDx (x = 0, 2.2, 8) from total scattering and neutron spectroscopy. Acta Materialia. ISSN 1359-6454. 205, p. 1–15. doi: 10.1016/j.actamat.2020.116496. Full text in Research Archive
  • Eidsvåg, Håkon; Bentouba, Said; Vajeeston, Ponniah; Shivatharsiny, Yohi & Velauthapillai, Dhayalan (2021). TiO2 as a Photocatalyst for Water Splitting—An Experimental and Theoretical Review. Molecules. ISSN 1431-5157. 26(6). doi: 10.3390/molecules26061687. Full text in Research Archive
  • Li, Xinyu; Bianchini, Federico; Wind, Julia; Pettersen, Christine; Vajeeston, Ponniah & Wragg, David [Show all 7 contributors for this article] (2020). Insights into Crystal Structure and Diffusion of Biphasic Na2Zn2TeO6. ACS Applied Materials & Interfaces. ISSN 1944-8244. 12(25), p. 28188–28198. doi: 10.1021/acsami.0c05863. Full text in Research Archive
  • Zacharaki, Eirini; Bremmer, Marien G.; Vajeeston, Ponniah; Kalyva, Maria Evangelou; Fjellvåg, Helmer & Kooyman, Patricia J. [Show all 7 contributors for this article] (2020). One-pot synthesis of cobalt-rhenium nanoparticles taking the unusual beta-Mn type structure. Nanoscale Advances. 2, p. 1850–1853. doi: 10.1039/d0na00097c. Full text in Research Archive
  • Mayandi, Jeyanthinath; Finstad, Terje; Venkatesan, Ragavendran; Vajeeston, Ponniah; Karazhanov, Smagul & Venkatachalapathy, Vishnukanthan (2020). Carbon-dioxide as annealing atmosphere to retain the electrical properties of indium-tin oxide. Materials Letters. ISSN 0167-577X. 276. doi: 10.1016/j.matlet.2020.128195. Full text in Research Archive
  • Kalantzopoulos, Georgios N.; Lundvall, Fredrik; Thorshaug, Knut; Lind, Anna Maria; Vajeeston, Ponniah & Dovgaliuk, Iurii [Show all 9 contributors for this article] (2020). Factors Determining Microporous Material Stability in Water: The Curious Case of SAPO-37. Chemistry of Materials. ISSN 0897-4756. 32(4), p. 1495–1505. doi: 10.1021/acs.chemmater.9b04510. Full text in Research Archive
  • Li, Xinyu; Bianchini, Federico; Wind, Julia; Vajeeston, Ponniah; Wragg, David & Fjellvåg, Helmer (2019). P2 Type Layered Solid-State Electrolyte Na2Zn2TeO6: Crystal Structure and Stacking Faults . Journal of the Electrochemical Society. ISSN 0013-4651. 166(15), p. A3830–A3837. doi: 10.1149/2.1231915jes.
  • Ruud, Amund; Sottmann, Jonas; Vajeeston, Ponniah & Fjellvåg, Helmer (2019). Direct observation of reversible conversion and alloying reactions in a Bi2(MoO4)3-based lithium-ion battery anode. Journal of Materials Chemistry A. ISSN 2050-7488. 7(30), p. 17906–17913. doi: 10.1039/c9ta03459e.
  • Fjellvåg, Øystein; Krzystyniak, Matthew; Vajeeston, Ponniah; Sjåstad, Anja Olafsen & Armstrong, Jeff (2019). A combined deep inelastic neutron scattering andab initiolattice dynamics study of the hydride anion dynamics and bonding in La2LiHO3 oxyhydride. Journal of Physics Communications. ISSN 2399-6528. 3(10). doi: 10.1088/2399-6528/ab4be6. Full text in Research Archive
  • Rasukkannu, Murugesan; Velauthapillai, Dhayalan & Vajeeston, Ponniah (2019). First-Principle Calculation of High Absorption-TlGaTe2 for Photovoltaic Application. Materials. ISSN 1996-1944. 12(7). doi: 10.3390/ma12172667. Full text in Research Archive
  • Vajeeston, Ponniah; Bianchini, Federico & Fjellvåg, Helmer (2019). First-Principles Study of the Structural Stability and Dynamic Properties of Li2MSiO4 (M = Mn, Co, Ni) Polymorphs . Energies. ISSN 1996-1073. 12(224), p. 1–24. doi: 10.3390/en12020224. Full text in Research Archive
  • Bianchini, Federico; Fjellvåg, Helmer & Vajeeston, Ponniah (2019). Nonhexagonal Na Sublattice Reconstruction in the Super-Ionic Conductor Na2Zn2TeO6: Insights from Ab Initio Molecular Dynamics . Journal of Physical Chemistry C. ISSN 1932-7447. 123(8), p. 4654–4663. doi: 10.1021/acs.jpcc.8b10362.
  • Fjellvåg, Øystein; Nygård, Kristin Hubred; Vajeeston, Ponniah & Sjåstad, Anja Olafsen (2019). Advances in the LiCl salt flux method and the preparation of phase pure La2−xNdxLiHO3 (0 ≤ x ≤ 2) oxyhydrides. Chemical Communications. ISSN 1359-7345. 55(26), p. 3817–3820. doi: 10.1039/c9cc00920e.
  • Yacov, Finkelstein; Raymond, Moreh; Bianchini, Federico & Vajeeston, Ponniah (2019). Anisotropy of the proton kinetic energy in ice Ih. Surface Science. ISSN 0039-6028. 679, p. 174–179. doi: 10.1016/j.susc.2018.09.010. Full text in Research Archive
  • Bianchini, Federico; Fjellvåg, Helmer & Vajeeston, Ponniah (2018). A first-principles investigation of the Li difusion mechanism in the super-ionic conductor lithium orthothioborate Li3BS3 structure. Materials Letters. ISSN 0167-577X. 219, p. 186–189. doi: 10.1016/j.matlet.2018.02.083. Full text in Research Archive
  • Rasukkannu, Murugesan; Velauthapillai, Dhayalan & Vajeeston, Ponniah (2018). Hybrid Density Functional Study of Au2Cs2I6, Ag2GeBaS4, Ag2ZnSnS4, and AgCuPO4 for the Intermediate Band Solar Cells. Energies. ISSN 1996-1073. 11(12). doi: 10.3390/en11123457. Full text in Research Archive
  • Rasukkannu, Murugesan; Velauthapillai, Dhayalan; Bianchini, Federico & Vajeeston, Ponniah (2018). Properties of novel non-silicon materials for photovoltaic applications: A first-principle insight. Materials. ISSN 1996-1944. 11:2006(10), p. 1–17. doi: 10.3390/ma11102006. Full text in Research Archive
  • Ruud, Amund; Sottmann, Jonas; Vajeeston, Ponniah & Fjellvåg, Helmer (2018). Operando Investigations of Lithiation and Delithiation Processes in the BiVO4 Anode Material . Physical Chemistry, Chemical Physics - PCCP. ISSN 1463-9076. 47, p. 29798–29803. doi: 10.1039/c8cp05330h. Full text in Research Archive
  • Vajeeston, Ponniah (2018). Ionic conductivity enhancement by particle size reduction in Li2FeSiO4. Materials Letters. ISSN 0167-577X. 218, p. 313–316. doi: 10.1016/j.matlet.2018.02.041.
  • Bianchini, Federico; Fjellvåg, Helmer & Vajeeston, Ponniah (2018). A first-principle study of NaMPO4(M = Mn, Fe, Co, Ni) possible novelstructures as cathode materials for sodium-ion batteries: Structural andelectrochemical characterisation. Materials Chemistry and Physics. ISSN 0254-0584. 219, p. 212–221. doi: 10.1016/j.matchemphys.2018.08.007. Full text in Research Archive
  • Rasukkannu, Murugesan; Velauthapillai, Dhayalan & Vajeeston, Ponniah (2018). A promising high-efficiency photovoltaic alternative non-silicon material: A first-principle investigation. Scripta Materialia. ISSN 1359-6462. 156, p. 134–137. doi: 10.1016/j.scriptamat.2018.07.027.
  • Bianchini, Federico; Fjellvåg, Helmer & Vajeeston, Ponniah (2018). A first principle comparative study of the ionic diffusivity in LiAlO2 and NaAlO2 polymorphs for solid-state battery applications. Physical Chemistry, Chemical Physics - PCCP. ISSN 1463-9076. 20(15), p. 9824–9832. doi: 10.1039/c8cp00715b.
  • El-Kharbachi, Abdelouahab; Hu, Yang; Yoshida, Koji; Vajeeston, Ponniah; Kim, Sangryun & Sørby, Magnus Helgerud [Show all 9 contributors for this article] (2018). Lithium ionic conduction in composites of Li(BH4)0.75I0.25 and amorphous 0.75Li2S·0.25P2S5 for battery applications. Electrochimica Acta. ISSN 0013-4686. 278, p. 332–339. doi: 10.1016/j.electacta.2018.05.041. Full text in Research Archive
  • Eidsvåg, Håkon; Rasukkannu, Murugesan; Vajeeston, Ponniah & Velauthapillai, Dhayalan (2018). Bandgap engineering in CsSnxPb(1−x)I3 and their influence on light absorption. Materials Letters. ISSN 0167-577X. 218, p. 253–256. doi: 10.1016/j.matlet.2018.02.021.
  • Rasukkannu, Murugesan; Velauthapillai, Dhayalan & Vajeeston, Ponniah (2018). A first-principle study of the electronic, mechanical and optical properties of inorganic perovskite Cs2SnI6 for intermediate-band solar cells. Materials Letters. ISSN 0167-577X. 218, p. 233–236. doi: 10.1016/j.matlet.2018.02.034.
  • Vajeeston, Ponniah; Fjellvåg, Helmer & Nilsen, Ola (2018). Search for potential precursors for Si-atomic layer deposition- a quantum chemical study. Materials Letters. ISSN 0167-577X. 216, p. 189–192. doi: 10.1016/j.matlet.2018.01.040. Full text in Research Archive
  • Fjellvåg, Øystein Slagtern; Armstrong, Jeff; Vajeeston, Ponniah & Sjåstad, Anja Olafsen (2018). New Insights into Hydride Bonding, Dynamics, and Migration in La2LiHO3 Oxyhydride. The Journal of Physical Chemistry Letters. ISSN 1948-7185. p. 353–358. doi: 10.1021/acs.jpclett.7b03098. Full text in Research Archive
  • Sottmann, Jonas; Di Michiel, Marco; Fjellvåg, Helmer; Malavasi, Lorenzo; Margadonna, Serena & Vajeeston, Ponniah [Show all 8 contributors for this article] (2017). Chemical Structures of Specific Sodium Ion Battery Components Determined by Operando Pair Distribution Function and X-ray Diffraction Computed Tomography. Angewandte Chemie International Edition. ISSN 1433-7851. 56(38), p. 11385–11389. doi: 10.1002/anie.201704271. Full text in Research Archive
  • Bianchini, Federico; Fjellvåg, Helmer & Vajeeston, Ponniah (2017). First-principles study of the structural stability and electrochemical properties of Na2MSiO4 (M = Mn, Fe, Co and Ni) polymorphs. Physical Chemistry, Chemical Physics - PCCP. ISSN 1463-9076. 19(22), p. 14462–14470. doi: 10.1039/c7cp01395g. Full text in Research Archive
  • Vajeeston, Ponniah & Fjellvåg, Helmer (2017). First-principles study of structural stability, dynamical and mechanical properties of Li2FeSiO4 polymorphs. RSC Advances. ISSN 2046-2069. 7(27), p. 16843–16853. doi: 10.1039/c6ra26555c. Full text in Research Archive
  • Lundvall, Fredrik; Wragg, David; Vajeeston, Ponniah; Dietzel, Pascal D.C. & Fjellvåg, Helmer (2017). Ab initio structure solution and thermal stability evaluation of a new Ca(II) 3D coordination polymer using synchrotron powder X-ray diffraction data. CrysteEngComm. ISSN 1466-8033. 19(39), p. 5857–5863. doi: 10.1039/c7ce01389b.
  • Nagell, Marius Uv; Slawinski, Wojciech Andrzej; Vajeeston, Ponniah; Fjellvåg, Helmer & Sjåstad, Anja Olafsen (2017). Temperature induced transitions in La-4(Co1-xNix)(3)O-10 (+) (delta); oxygen stoichiometry and mobility. Solid State Ionics. ISSN 0167-2738. 305, p. 7–15. doi: 10.1016/j.ssi.2017.04.006.
  • Rasukkannu, Murugesan; Velauthapillai, Dhayalan & Vajeeston, Ponniah (2017). Computational modeling of novel bulk materials for the intermediate-band solar cells. ACS Omega. ISSN 2470-1343. 2(4), p. 1454–1462. doi: 10.1021/acsomega.6b00534. Full text in Research Archive
  • Sottmann, Jonas; Herrmann, Matthias; Vajeeston, Ponniah; Ruud, Amund; Drathen, Christina & Emerich, Hermann [Show all 8 contributors for this article] (2017). Bismuth Vanadate and Molybdate: Stable Alloying Anodes for Sodium-Ion Batteries. Chemistry of Materials. ISSN 0897-4756. 29(7), p. 2803–2810. doi: 10.1021/acs.chemmater.6b04699.

View all works in Cristin

  • Sottmann, Jonas; Ruud, Amund; Fjellvåg, Øystein Slagtern; Vaughan, Gavin B. M.; Di Michel, Marco & Fjellvåg, Helmer [Show all 9 contributors for this article] (2023). Erratum: 5D total scattering computed tomography reveals the full reaction mechanism of a bismuth vanadate lithium ion battery anode (Phys. Chem. Chem. Phys. (2022) 24 (27075-27085) DOI: 10.1039/D2CP03892G). Physical Chemistry, Chemical Physics - PCCP. ISSN 1463-9076. doi: 10.1039/d3cp90076b.
  • Brennhagen, Anders; Cavallo, Carmen; Wragg, David Stephen; Koposov, Alexey; Ponniah, Vajeeston & Sjåstad, Anja Olafsen [Show all 7 contributors for this article] (2023). Tracing the (De)sodiation of Bi2MoO6 Through Good and Bad Times With Operando XRD.
  • Brennhagen, Anders; Cavallo, Carmen; Wragg, David Stephen; Koposov, Alexey; Ponniah, Vajeeston & Sjåstad, Anja Olafsen [Show all 7 contributors for this article] (2022). Tracing the (De)sodiation of Bi2MoO6 Through Good and Bad Times With Operando XRD.
  • Brennhagen, Anders; Cavallo, Carmen; Wragg, David Stephen; Ponniah, Vajeeston; Sjåstad, Anja Olafsen & Koposov, Alexey [Show all 7 contributors for this article] (2022). Corrigendum: Operando XRD studies on Bi2MoO6 as anode material for Na-ion batteries (Nanotechnology (2022)33 (185402) DOI: 10.1088/1361-6528/ac4eb5). Nanotechnology. ISSN 0957-4484. 33(35). doi: 10.1088/1361-6528/ac72b2.
  • Brennhagen, Anders; Cavallo, Carmen; Wragg, David Stephen; Ponniah, Vajeeston; Sjåstad, Anja Olafsen & Koposov, Alexey [Show all 7 contributors for this article] (2022). Tracing the (de)sodiation of Bi2MoO6 through good and bad times with operando XRD.
  • Brennhagen, Anders; Cavallo, Carmen; Wragg, David Stephen; Koposov, Alexey; Ponniah, Vajeeston & Sjåstad, Anja Olafsen [Show all 7 contributors for this article] (2021). Operando XRD study on Bi2MoO6 as anode material for Na-ion batteries.
  • Kanimozhi, Balakrishnan; Velauthapillai, Vasu & Ponniah, Vajeeston (2021). Physical and chemical properties of some newly identified polymorphs of SnO2: Density functional theory.
  • Lathifa, Banu; Vasu, Veerapandi & Ponniah, Vajeeston (2021). First-principles insights into the relative stability, physical and chemical properties of MoSe2 .
  • Chapa, Pamodani Wanniarachchi; Arunasalam, Thevakaran; Punniamoorthy, Ravirajan; Dhayalan, Velauthapillai & Ponniah, Vajeeston (2021). Mixed Anion Perovskites for photovoltaic applications – a first-principle study.
  • Suresh, A.; Kanimozhi, Balakrishnan; Vasu, Veerapandi & Ponniah, Vajeeston (2021). Tailoring physical properties by introducing alkali metals with di-sulphide anion for technological applications: A DFT study. .
  • Håkon, Eidsvåg; Murugesan, Rasukkannu; Dhayalan, Velauthapillai & Ponniah, Vajeeston (2021). In-depth first-principle study on novel MoS2 polymorphs .
  • Murugesan, Rasukkannu; Dhayalan, Velauthapillai & Ponniah, Vajeeston (2021). Properties of Natural Intermediate band in Cu2CdGeS4 for Intermediate band solar cells: A First-Principle Insight .
  • Brennhagen, Anders; Cavallo, Carmen; Wragg, David Stephen; Sjåstad, Anja Olafsen; Ponniah, Vajeeston & Fjellvåg, Helmer (2021). Operando XRD studies on Bi2MoO6 as anode material for Na-ion batteries.
  • Eidsvåg, Håkon; Rasukkannu, Murugesan; Velauthapillai, Dhayalan & Vajeeston, Ponniah (2021). Correction: In-depth first-principle study on novel MoS2polymorphs. RSC Advances. ISSN 2046-2069. 11(20), p. 12188–12188. doi: 10.1039/d1ra90092g.
  • Brennhagen, Anders; Cavallo, Carmen; Wragg, David; Vajeeston, Ponniah; Sjåstad, Anja Olafsen & Fjellvåg, Helmer (2021). Bi4V2O11/RGO composite as conversion and alloying anode for Na-ion batteries.
  • Brennhagen, Anders; Wragg, David; Fjellvåg, Helmer; Vajeeston, Ponniah; Sjåstad, Anja Olafsen & Cavallo, Carmen (2021). Beyond Insertion: Conversion alloying Bi/RGO-based materials as novel anodes for Na-ion batteries.
  • Vajeeston, Ponniah (2020). Computational materials design and characterization of battery materials.
  • Vajeeston, Ponniah (2020). High-throughput computational materials design and characterisation for functional inorganic materials.
  • Rasukkannu, Murugesan; Dhayalan, Velauthapillai & Vajeeston, Ponniah (2020). Properties of Natural Intermediate band in Cu2CdGeS4 for Intermediate band solar cells: A First-Principle Insight.
  • Fjellvåg, Øystein; Armstrong, J; Krzystyniak, Matthew; Vajeeston, Ponniah & Sjåstad, Anja Olafsen (2020). Structure and dynamics of La2LiHO3.
  • Wragg, David; Fjellvåg, Øystein; Ruud, Amund; Fjellvåg, Helmer; Vajeeston, Ponniah & Vaughan, Gavin B M [Show all 9 contributors for this article] (2019). XRD/PDF computed tomography and how to get the best possible operando data from ion batteries.
  • Wragg, David; Ruud, Amund; Fjellvåg, Øystein; Fjellvåg, Helmer; lebedev, Oleg & Di Michel, Marco [Show all 9 contributors for this article] (2019). PDF Analysis of Batteries Using Diffraction Computed Tomography.
  • Wragg, David; Ruud, Amund; Fjellvåg, Helmer; Fjellvåg, Øystein; Vajeeston, Ponniah & Sottmann, Jonas [Show all 9 contributors for this article] (2019). PDF Analysis of Batteries Using Diffraction Computed Tomography.
  • Wragg, David; Sottmann, Jonas; Ruud, Amund; Fjellvåg, Helmer; Fjellvåg, Øystein & Vajeeston, Ponniah [Show all 9 contributors for this article] (2018). Operando X-ray Diffraction Studies of Battery Materials.
  • Wragg, David; Ruud, Amund; Sottmann, Jonas; Vajeeston, Ponniah; Fjellvåg, Helmer & Fjellvåg, Øystein [Show all 8 contributors for this article] (2018). New Anodes for Sodium and Lithium Ion Batteries.
  • El-Kharbachi, Abdelouahab; Høgset, A.; Kim, Sangryun; Vajeeston, Ponniah; Sørby, Magnus Helgerud & Fjellvåg, Helmer [Show all 8 contributors for this article] (2018). Structural and Electrochemical Study of Mixtures of Halogenated-LiBH4 and Amorphous 0.75Li2S·0.25P2S5 for Li- Conducting Solid Electrolytes.
  • Venkatachalapathy, Vishnukanthan; Vajeeston, Ponniah; Galeckas, Augustinas; Vines, Lasse & Kuznetsov, Andrej (2018). Direct and indirect bandgaps of Cadmium Oxide.
  • Vajeeston, Ponniah & Fjellvåg, Helmer (2017). Computational materials design and characterisation for energy harvesting and energy storage materials.
  • Vajeeston, Ponniah (2017). Computational materials design for energy harvesting and energy storage materials.
  • Venkatachalapathy, Vishnukanthan; Vajeeston, Ponniah; Vines, Lasse; Monakhov, Edouard & Kuznetsov, Andrej (2017). Ion irradiation induced phase transformation in crystalline Si.
  • Venkatachalapathy, Vishnukanthan; Ayedh, Hussein Mohammed Hussein; Vajeeston, Ponniah; Vines, Lasse; Monakhov, Edouard & Kuznetsov, Andrej (2017). Quest for Si based multi-junction solar cells covering the entire solar spectrum.
  • Wragg, David; Sottmann, Jonas; Vajeeston, Ponniah & Ruud, Amund (2017). The intriguing mechanism of phosphorus anodes for sodium ion batteries Revealed by operando pair distribution function and X-ray diffraction computed tomography.
  • Hu, Yang; El-Kharbachi, Abdelouahab; Yoshida, Koji; Vajeeston, Ponniah; Sørby, Magnus Helgerud & Orimo, Shin-Ichi [Show all 8 contributors for this article] (2017). Ionic Properties of the borohydride-sulfide Mixed System for All-Solid Li-Ion Batteries.
  • Wragg, David; Sottmann, Jonas; Vajeeston, Ponniah; Sørby, Magnus Helgerud & Fjellvåg, Helmer (2016). Does the 3D Topological Dirac Semimetal Na3P Have More Than One Ground State?

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Published Nov. 11, 2010 9:00 AM - Last modified Oct. 30, 2012 11:56 AM