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Items: 10

1.

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

Rasukkannu M, Velauthapillai D, Vajeeston P.

Materials (Basel). 2019 Aug 22;12(17). pii: E2667. doi: 10.3390/ma12172667.

2.

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

Fjellvåg ØS, Nygård KH, Vajeeston P, Sjåstad AO.

Chem Commun (Camb). 2019 Mar 26;55(26):3817-3820. doi: 10.1039/c9cc00920e.

PMID:
30869684
3.

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

Ruud A, Sottmann J, Vajeeston P, Fjellvåg H.

Phys Chem Chem Phys. 2018 Dec 5;20(47):29798-29803. doi: 10.1039/c8cp05330h.

PMID:
30465567
4.

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

Rasukkannu M, Velauthapillai D, Bianchini F, Vajeeston P.

Materials (Basel). 2018 Oct 17;11(10). pii: E2006. doi: 10.3390/ma11102006.

5.

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

Fjellvåg ØS, Armstrong J, Vajeeston P, Sjåstad AO.

J Phys Chem Lett. 2018 Jan 18;9(2):353-358. doi: 10.1021/acs.jpclett.7b03098. Epub 2018 Jan 8.

PMID:
29298072
6.

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

Sottmann J, Di Michiel M, Fjellvåg H, Malavasi L, Margadonna S, Vajeeston P, Vaughan GBM, Wragg DS.

Angew Chem Int Ed Engl. 2017 Sep 11;56(38):11385-11389. doi: 10.1002/anie.201704271. Epub 2017 Aug 9.

PMID:
28650527
7.

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

Rasukkannu M, Velauthapillai D, Vajeeston P.

ACS Omega. 2017 Apr 13;2(4):1454-1462. doi: 10.1021/acsomega.6b00534. eCollection 2017 Apr 30.

8.

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

Yang LM, Ravindran P, Vajeeston P, Tilset M.

Phys Chem Chem Phys. 2012 Apr 14;14(14):4713-23. doi: 10.1039/c2cp24091b. Epub 2012 Mar 1.

PMID:
22382620
9.

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).

Yang LM, Vajeeston P, Ravindran P, Fjellvåg H, Tilset M.

Phys Chem Chem Phys. 2011 Jun 7;13(21):10191-203. doi: 10.1039/c0cp02944k. Epub 2011 Apr 19.

PMID:
21503357
10.

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

Yang LM, Vajeeston P, Ravindran P, Fjellvåg H, Tilset M.

Inorg Chem. 2010 Nov 15;49(22):10283-90. doi: 10.1021/ic100694w. Epub 2010 Oct 20.

PMID:
20961146

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