P. Vajeeston

发表

Two New Series of Coordination Polymers and Evaluation of Their Properties by Density Functional Theory

H. Fjellvåg, P. Dietzel, D. Wragg, 2016 .

A first-principle study of the electronic, mechanical and optical properties of inorganic perovskite Cs2SnI6 for intermediate-band solar cells

P. Vajeeston, D. Velauthapillai, Murugesan Rasukkannu, 2018 .

A first-principle study of the electronic , mechanical and optical properties of inorganic perovskite Cs 2 SnI 6 for intermediate-band solar cells

P. Vajeeston, D. Velauthapillai, Murugesan Rasukkannu, 2018 .

Structural stability and electronic structure for Li 3 AlH 6

P. Vajeeston, A. Kjekshus, P. Ravindran, 2004 .

Nanostructures of LiBH4: a density-functional study.

H. Fjellvåg, P. Vajeeston, P. Ravindran, 2009, Nanotechnology.

MgH2 in Carbon Scaffolds: A Combined Experimental and Theoretical Investigation

H. Fjellvåg, K. Knudsen, P. Vajeeston, 2012 .

Crystal structures of aluminum-based hydrides

H. Fjellvåg, P. Vajeeston, 2015 .

Search for metal hydrides with short hydrogen-hydrogen separation: Ab initio calculations

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2004 .

Short hydrogen-hydrogen separation inRNiInH1.333(R=La,Ce, Nd)

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2003 .

Clean Power for future generation

P. Vajeeston, 2001 .

Atomic layer deposition of lithium nitride and carbonate using lithium silylamide

H. Fjellvåg, O. Nilsen, E. Østreng, 2012 .

Superconducting and structural properties of the noncentrosymmetric Re6Hf superconductor under high pressure

P. Vajeeston, Y. Uwatoko, K. Motla, 2022, Physical Review B.

One-pot synthesis of cobalt–rhenium nanoparticles taking the unusual β-Mn type structure

H. Fjellvåg, P. Kooyman, A. Sjåstad, 2020, Nanoscale advances.

Influence of Crystal Structure of Bulk Phase on the Stability of Nanoscale Phases: Investigation on MgH2 Derived Nanostructures

H. Fjellvåg, M. Fichtner, P. Vajeeston, 2012 .

Structural stability and pressure-induced phase transitions in MgH 2

H. Fjellvåg, M. Hanfland, P. Vajeeston, 2006 .

Cs2AgBiBr6 as a mixed anion perovskites for photovoltaic applications: A first-principle study

P. Vajeeston, D. Velauthapillai, P. Ravirajan, 2022, Materials Today: Proceedings.

Antifluorite-type Na5FeO4 as a low-cost, environment-friendly cathode with combined cationic/anionic redox activity for sodium ion batteries: a first-principles investigation

H. Fjellvåg, F. Bianchini, P. Vajeeston, 2022, RSC advances.

Bandgap engineering in CsSnxPb(1−x)I3 and their influence on light absorption

P. Vajeeston, D. Velauthapillai, Murugesan Rasukkannu, 2018 .

Nanostructures of LiBH4: a density-functional study

H. Fjellvåg, P. Vajeeston, P. Ravindran, 2009, Nanotechnology.

Structural stability of alkali boron tetrahydrides ABH4 (A = Li, Na, K, Rb, Cs) from first principle calculation

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2005 .

High pressure structural phase transition and thermodynamic properties of SnO2 polymorphs: First principles calculation

P. Vajeeston, K. Balakrishnan, Vasu Veerapandi, 2022, Materials Today: Proceedings.

Anisotropy of the proton kinetic energy in ice Ih

F. Bianchini, P. Vajeeston, R. Moreh, 2019, Surface Science.

A combined deep inelastic neutron scattering and ab initio lattice dynamics study of the hydride anion dynamics and bonding in La2LiHO3 oxyhydride

A. Sjåstad, P. Vajeeston, M. Krzystyniak, 2019, Journal of Physics Communications.

How Crystallite Size Controls the Reaction Path in Nonaqueous Metal Ion Batteries: The Example of Sodium Bismuth Alloying

H. Fjellvåg, M. Herrmann, J. Sottmann, 2016 .

Revisiting isoreticular MOFs of alkaline earth metals: a comprehensive study on phase stability, electronic structure, chemical bonding, and optical properties of A-IRMOF-1 (A = Be, Mg, Ca, Sr, Ba).

H. Fjellvåg, Li‐Ming Yang, P. Vajeeston, 2011, Physical chemistry chemical physics : PCCP.

A new series of high hydrogen content hydrogen-storage materials—A theoretical prediction

H. Fjellvåg, P. Vajeeston, P. Ravindran, 2007 .

Pressure-induced phase of NaAlH4: A potential candidate for hydrogen storage?

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2003 .

On the Thermal Stability and Structures of Layered Double Hydroxides Mg1–xAlx(OH)2(NO3)x·mH2O (0.18 ≤ x ≤ 0.38)

H. Fjellvåg, N. Andersen, B. Arstad, 2015 .

Theoretical investigations on the chemical bonding, electronic structure, and optical properties of the metal-organic framework MOF-5.

H. Fjellvåg, Li‐Ming Yang, P. Vajeeston, 2010, Inorganic chemistry.

Factors Determining Microporous Material Stability in Water: The Curious Case of SAPO-37

H. Fjellvåg, B. Arstad, D. Wragg, 2020 .

Structural stability and electronical properties of MoSe2 polymorphs: DFT

P. Vajeeston, Vasu Veerapandy, S. Lathifa Banu, 2022, Materials Today: Proceedings.

Differing pressure response of lattice structure in LaTMSb2 (TM = Au or Ag) ternary antimonides

P. Vajeeston, C. Kuo, C. Lue, 2022, Bulletin of Materials Science.

Revised electronic structure, Raman and IR studies of AB2H2 and ABCH (A = Sr, Ba; B = Al, Ga; C = Si, Ge) phases

H. Fjellvåg, P. Vajeeston, 2014 .

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

A. Vignesh, G. G. Kumar, A. Al‐Sehemi, 2021, Chemical Engineering Journal.

A first-principle investigation of the Li diffusion mechanism in the super-ionic conductor lithium orthothioborate Li3BS3 structure

H. Fjellvåg, F. Bianchini, P. Vajeeston, 2018 .

5D total scattering computed tomography reveals the full reaction mechanism of a bismuth vanadate lithium ion battery anode.

H. Fjellvåg, O. Lebedev, J. Sottmann, 2022, Physical chemistry chemical physics : PCCP.

High Entropy Alloy CrFeNiCoCu sputtered films

E. Fortunato, O. Løvvik, T. Finstad, 2021, 2108.08373.

Chemical-bonding and high-pressure studies on hydrogen-storage materials

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2004 .

Violation of the minimum h-h separation "Rule" for metal hydrides.

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2002, Physical review letters.

Crystal chemistry and metal-hydrogen bonding in anisotropic and interstitial hydrides of intermetallics of rare earth (R) and transition metals (T), RT3 and R2T7

H. Fjellvåg, P. Vajeeston, P. Ravindran, 2008 .

Structural stability of BeH2 at high pressures

Ponniah Vajeeston, Helmer Fjellvåg, H. Fjellvåg, 2004 .

Pressure-induced structural transitions in MgH2.

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2002, Physical review letters.

Effect of oxygen stoichiometry on spin, charge, and orbital ordering in manganites

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2004 .

Electronic properties of α -Mn-type non-centrosymmetric superconductor Re5.5Ta under hydrostatic pressure

P. Vajeeston, Y. Uwatoko, Arushi, 2022, Superconductor Science and Technology.

Search for potential precursors for Si-atomic layer deposition- a quantum chemical study

H. Fjellvåg, O. Nilsen, P. Vajeeston, 2016, 1611.04355.

First-principles investigations of aluminum hydrides : M3AlH6 (M=Na,K)

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2005 .

Predicting New Materials for Hydrogen Storage Application

H. Fjellvåg, P. Vajeeston, P. Ravindran, 2009, Materials.

HYDROGEN INDUCED STRUCTURAL PHASE TRANSFORMATION IN ScNiSn-BASED INTERMETALLIC HYDRIDE CHARACTERIZED BY EXPERIMENTAL AND COMPUTATIONAL STUDIES

M. Heere, A. Senyshyn, R. Pöttgen, 2022, Acta Materialia.

Modeling of hydrogen storage materials by density-functional calculations

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2006 .

Theoretical modeling of hydrogen storage materials: Prediction of structure, chemical bond character, and high-pressure behavior

Ponniah Vajeeston, Helmer Fjellvåg, H. Fjellvåg, 2005 .

Ground- and excited-state properties of inorganic solids from full-potential density-functional calculations

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2003 .

Crystal chemistry and metal-hydrogen bonding in anisotropic and interstitial hydrides of intermetallics of rare earth (R)

P. Vajeeston, P. Ravindran, V. Yartys, 2008 .

Short hydrogen-hydrogen separation in RNiInH 1.333 ÑRLa, Ce, NdÖ

P. Vajeeston, A. Kjekshus, R. Vidya, 2003 .

Site preference of hydrogen in metal, alloy, and intermetallic frameworks

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2005 .

Phonon, IR, and Raman spectra, NMR parameters, and elastic constant calculations for AlH3 polymorphs.

H. Fjellvåg, P. Vajeeston, P. Ravindran, 2011, The journal of physical chemistry. A.

The average and local structure of TiVCrNbDx (x=0,2.2,8) from total scattering and neutron spectroscopy

Yumiko Nakamura, P. Vajeeston, A. Machida, 2020 .

The average and local structure of TiVCrNbD () from total scattering and neutron spectroscopy

Yumiko Nakamura, P. Vajeeston, A. Machida, 2020 .

Vibrational properties of High Entropy Alloy based metal hydrides probed by inelastic neutron scattering

P. Vajeeston, U. Häussermann, M. Sahlberg, 2021 .

Design of Potential Hydrogen-Storage Materials Using First-Principle Density-Functional Calculations

Ponniah Vajeeston, Helmer Fjellvåg, H. Fjellvåg, 2004 .

Crystal structure of KAlH4 from first principle calculations

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2004 .

Huge-pressure-induced volume collapse in LiAlH 4 and its implications to hydrogen storage

Ponniah Vajeeston, Helmer Fjellvåg, H. Fjellvåg, 2003 .

Electronic structure, phase stability, and chemical bonding in Th2Al and Th2AlH4

A. Skjeltorp, P. Vajeeston, A. Kjekshus, 2001, cond-mat/0108278.

Pressure Dependence of Superconducting Properties, Pinning Mechanism, and Crystal Structure of the Fe0.99Mn0.01Se0.5Te0.5 Superconductor

P. Vajeeston, Y. Uwatoko, K. Ishigaki, 2021, ACS omega.

Formation of an intermediate band in isoreticular metal–organic framework-993 (IRMOF-993) and metal-substituted analogues M-IRMOF-993

Li‐Ming Yang, P. Vajeeston, P. Ravindran, 2012 .

Properties of IRMOF-14 and its analogues M-IRMOF-14 (M = Cd, alkaline earth metals): electronic structure, structural stability, chemical bonding, and optical properties.

Li‐Ming Yang, P. Vajeeston, P. Ravindran, 2012, Physical chemistry chemical physics : PCCP.

Ab initio investigations on the crystal structure, formation enthalpy, electronic structure, chemical bonding, and optical properties of experimentally synthesized isoreticular metal–organic framework-10 and its analogues: M-IRMOF-10 (M = Zn, Cd, Be, Mg, Ca, Sr and Ba)

Li‐Ming Yang, P. Vajeeston, P. Ravindran, 2012 .

Phase stability and pressure-induced structural transitions at zero temperature in ZnSiO3 and Zn2SiO4

H. Fjellvåg, P. Vajeeston, A. Ulyashin, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

Spin, charge, and orbital orderings in oxides with dual-valent transition metal ions

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2004 .

Properties of Novel Non-Silicon Materials for Photovoltaic Applications: A First-Principle Insight

F. Bianchini, P. Vajeeston, D. Velauthapillai, 2018, Materials.

A first principle comparative study of the ionic diffusivity in LiAlO2 and NaAlO2 polymorphs for solid-state battery applications.

H. Fjellvåg, F. Bianchini, P. Vajeeston, 2018, Physical chemistry chemical physics : PCCP.

Temperature induced transitions in La4(Co1−xNix)3O10+δ; oxygen stoichiometry and mobility

H. Fjellvåg, M. U. Nagell, A. Sjåstad, 2017 .

Electronic structure, bonding, and ground-state properties of AlB 2 -type transition-metal diborides

Ponniah Vajeeston, P. Vajeeston, R. Asokamani, 2001 .

Pressure-induced structural transition and huge enhancement of superconducting properties of single-crystal Fe0.99Ni0.01Se0.5Te0.5 unconventional superconductor

Y. Vohra, P. Vajeeston, G. Samudrala, 2021, Journal of Materials Research.

First-Principles Study of the Structural Stability and Dynamic Properties of Li2MSiO4 (M = Mn, Co, Ni) Polymorphs

H. Fjellvåg, F. Bianchini, P. Vajeeston, 2019, Energies.

First-principles study of structural stability, dynamical and mechanical properties of Li2FeSiO4 polymorphs

H. Fjellvåg, P. Vajeeston, H. Fjellvaåg, 2016, 1611.04350.

Detailed electronic structure studies on superconducting MgB 2 and related compounds

P. Vajeeston, A. Kjekshus, R. Vidya, 2001, cond-mat/0104253.

Insights into Crystal Structure and Diffusion of Biphasic Na2Zn2TeO6

H. Fjellvåg, F. Bianchini, Xinyu Li, 2020, ACS applied materials & interfaces.

P2 Type Layered Solid-State Electrolyte Na2Zn2TeO6: Crystal Structure and Stacking Faults

H. Fjellvåg, F. Bianchini, Xinyu Li, 2019, Journal of The Electrochemical Society.

First-Principle Calculation of High Absorption-TlGaTe2 for Photovoltaic Application

P. Vajeeston, D. Velauthapillai, Murugesan Rasukkannu, 2019, Materials.

Computational Modeling of Novel Bulk Materials for the Intermediate-Band Solar Cells

P. Vajeeston, D. Velauthapillai, Murugesan Rasukkannu, 2017, ACS omega.

Thin films made by reactive sputtering of high entropy alloy FeCoNiCuGe: optical, electrical and structural properties

O. Løvvik, T. Finstad, M. Schrade, 2022, Thin Solid Films.

Bismuth Vanadate and Molybdate: Stable Alloying Anodes for Sodium-Ion Batteries

H. Fjellvåg, M. Herrmann, J. Sottmann, 2017 .

Electronic structure, phase stability, and cohesive properties of Ti 2 X Al ( X = N b , V , Zr )

P. Vajeeston, R. Asokamani, C. Ravi, 1999 .

TiO2 as a Photocatalyst for Water Splitting—An Experimental and Theoretical Review

P. Vajeeston, S. Bentouba, D. Velauthapillai, 2021, Molecules.

Phase stability, electronic structure, and optical properties of indium oxide polytypes

H. Fjellvåg, T. Finstad, P. Vajeeston, 2007 .

High hydrogen content complex hydrides: A density-functional study

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2006 .

Operando XRD studies on Bi2MoO6 as anode material for Na-ion batteries

Alexey Y. Koposov, H. Fjellvåg, Anders Brennhagen, 2022, Nanotechnology.

Structural, Electronic Properties, and Relative Stability Studies of Low-Energy Indium Oxide Polytypes Using First-Principles Calculations

P. Vajeeston, Vasu Veerapandy, Arthi Devamanoharan, 2023, ACS omega.

First-Principles Exploration into the Physical and Chemical Properties of Certain Newly Identified SnO2 Polymorphs

H. Fjellvåg, P. Vajeeston, Vasu Veerapandy, 2022, ACS omega.

Chemical Structures of Specific Sodium Ion Battery Components Determined by Operando Pair Distribution Function and X-ray Diffraction Computed Tomography

M. Di Michiel, H. Fjellvåg, M. Michiel, 2017 .

Hybrid Density Functional Study of Au2Cs2I6, Ag2GeBaS4, Ag2ZnSnS4, and AgCuPO4 for the Intermediate Band Solar Cells

Murugesan Rasukkannu, Dhayalan Velauthapillai, Ponniah Vajeeston, 2018, Energies.

Hybrid Density Functional Study of Au 2 Cs 2 I 6 , Ag 2 GeBaS 4 , Ag 2 ZnSnS 4 , and AgCuPO 4 for the Intermediate Band Solar Cells

P. Vajeeston, D. Velauthapillai, Murugesan Rasukkannu, 2018 .

Reply to “Comment on ‘Structural stability and electronic structure for Li 3 Al H 6 ’ ”

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2005 .

Prediction of structural, lattice dynamical, and mechanical properties of CaB2

H. Fjellvåg, P. Vajeeston, P. Ravindran, 2012 .

In-depth first-principle study on novel MoS2 polymorphs

P. Vajeeston, D. Velauthapillai, Murugesan Rasukkannu, 2021, RSC advances.

Structure and bonding in BAlH5 (B=Be, Ca, Sr) from first-principle calculations

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2007 .

Structural phase stability and bonding behavior ofBAlH5(B=Mg,Ba)from first-principles calculations

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2006 .

Advances in the LiCl salt flux method and the preparation of phase pure La2-xNdxLiHO3 (0 ≤ x ≤ 2) oxyhydrides.

A. Sjåstad, P. Vajeeston, Ø. Fjellvåg, 2019, Chemical communications.

Lithium ionic conduction in composites of Li(BH4)0.75I0.25 and amorphous 0.75Li2S·0.25P2S5 for battery applications

H. Fjellvåg, Sangryun Kim, S. Orimo, 2018, Electrochimica Acta.

Pressure-dependent modifications in the LaAuSb2 charge density wave system

P. Vajeeston, C. Kuo, C. Lue, 2021 .

Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl

H. Fjellvåg, P. Vajeeston, P. Ravindran, 2011 .

Nonhexagonal Na Sublattice Reconstruction in the Super-Ionic Conductor Na2Zn2TeO6: Insights from Ab Initio Molecular Dynamics

H. Fjellvåg, F. Bianchini, P. Vajeeston, 2019, The Journal of Physical Chemistry C.

A quantum mechanically guided view of Cd-MOF-5 from formation energy, chemical bonding, electronic structure, and optical properties

Li‐Ming Yang, P. Vajeeston, P. Ravindran, 2013 .

Hydrides as materials for semiconductor electronics

P. Vajeeston, A. Ulyashin, S. Karazhanov, 2008 .

New Insights into Hydride Bonding, Dynamics, and Migration in La2LiHO3 Oxyhydride.

A. Sjåstad, P. Vajeeston, J. Armstrong, 2018, The journal of physical chemistry letters.

Ab initio structure solution and thermal stability evaluation of a new Ca(II) 3D coordination polymer using synchrotron powder X-ray diffraction data

H. Fjellvåg, P. Dietzel, D. Wragg, 2017 .

The crystal structure of the first borohydride borate, Ca3(BD4)3(BO3)

H. Fjellvåg, M. Fichtner, Y. Filinchuk, 2011 .

Structural and electronic properties of transparent conducting delafossite: a comparison between the AgBO2 and CuBO2 families (B = Al, Ga, In and Sc, Y)

H. Fjellvåg, P. Vajeeston, R. Vidya, 2015 .

Disorder-Induced Ordering in Gallium Oxide Polymorphs

P. Vajeeston, A. Azarov, E. Monakhov, 2021, Physical Review Letters.

Chemical Structures of Specific Sodium Ion Battery Components Determined by Operando Pair Distribution Function and X-ray Diffraction Computed Tomography.

M. Michiel, J. Sottmann, S. Margadonna, 2017, Angewandte Chemie.

Stability enhancement by particle size reduction in AlH3

H. Fjellvåg, P. Vajeeston, P. Ravindran, 2011 .

Reaction induced multifunctional TiO2 rod/particle nanostructured materials for screen printed dye sensitized solar cells

Joshua M. Pearce, P. Vajeeston, J. Mayandi, 2020 .

Direct observation of reversible conversion and alloying reactions in a Bi2(MoO4)3-based lithium-ion battery anode

H. Fjellvåg, J. Sottmann, P. Vajeeston, 2019, Journal of Materials Chemistry A.

Operando investigations of lithiation and delithiation processes in a BiVO4 anode material.

H. Fjellvåg, J. Sottmann, P. Vajeeston, 2018, Physical chemistry chemical physics : PCCP.

Hydrides as materials for semiconductor electronics

P. Vajeeston, A. Ulyashin, S. Karazhanov, 2008 .

A first-principle study of NaMPO4 (M = Mn, Fe, Co, Ni) possible novel structures as cathode materials for sodium-ion batteries: Structural and electrochemical characterisation

H. Fjellvåg, F. Bianchini, P. Vajeeston, 2018, Materials Chemistry and Physics.

Doped MoS2 Polymorph for an Improved Hydrogen Evolution Reaction

P. Vajeeston, D. Velauthapillai, Håkon Eidsvåg, 2023, ACS omega.

Revisiting isoreticular MOFs of alkaline earth metals: a comprehensive study on phase stability, electronic structure, chemical bonding, and optical properties of A-IRMOF-1 (A = Be, Mg, Ca, Sr, Ba).

H. Fjellvåg, Li‐Ming Yang, P. Vajeeston, 2011, Physical Chemistry, Chemical Physics - PCCP.

First-principles investigations of the MMgH3 (M=Li, Na, K, Rb, Cs) series

P. Vajeeston, A. Kjekshus, P. Ravindran, 2008 .

Ionic conductivity enhancement by particle size reduction in Li2FeSiO4

P. Vajeeston, 2018 .

First-principles study of the structural stability and electrochemical properties of Na2MSiO4 (M = Mn, Fe, Co and Ni) polymorphs.

H. Fjellvåg, F. Bianchini, P. Vajeeston, 2017, Physical chemistry chemical physics : PCCP.

First-principles study of structural stability, dynamical and mechanical properties of Li2FeSiO4 polymorphs

H. Fjellvåg, P. Vajeeston, 2016, 1611.04350.

Phase stability, electronic structure, and optical properties of indium oxide polytypes

H. Fjellvåg, T. Finstad, P. Vajeeston, 2007 .

Theoretical Modeling of Hydrides

P. Vajeeston, Inger Sandved Anfinsen, .. S. Churchill, 2005 .

Structural stability, electronic structure, and magnetic properties of mixed-valence ACr3O8 phases (A=Na, K, Rb)

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2005 .

Structural investigation and thermodynamical properties of alkali calcium trihydrides.

H. Fjellvåg, P. Vajeeston, P. Ravindran, 2010, The Journal of chemical physics.

Antiferromagnetic vs. ferromagnetic interactions and spin-glass-like behavior in ruthenates

H. Fjellvåg, P. Vajeeston, A. Kjekshus, 2002, cond-mat/0209330.

Reply to “A comment on ‘Prediction of crystal structure, lattice dynamical, and mechanical properties of CaB2H2’ by Vajeeston et al., Int J Hydrogen Energy, 36 (2011) 10149–10158”

H. Fjellvåg, P. Vajeeston, P. Ravindran, 2012 .