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Items: 1 to 20 of 205

1.

Controlling the band gap energy of cluster-assembled materials.

Mandal S, Reber AC, Qian M, Weiss PS, Khanna SN, Sen A.

Acc Chem Res. 2013 Nov 19;46(11):2385-95. doi: 10.1021/ar3002975. Epub 2013 Jun 4.

PMID:
23734558
2.

Synthesis, structure and band gap energy of covalently linked cluster-assembled materials.

Mandal S, Reber AC, Qian M, Liu R, Saavedra HM, Sen S, Weiss PS, Khanna SN, Sen A.

Dalton Trans. 2012 Oct 28;41(40):12365-77.

PMID:
22940817
3.

Controlling band gap energies in cluster-assembled ionic solids through internal electric fields.

Chaki NK, Mandal S, Reber AC, Qian M, Saavedra HM, Weiss PS, Khanna SN, Sen A.

ACS Nano. 2010 Oct 26;4(10):5813-8. doi: 10.1021/nn101640r.

PMID:
20882982
4.

Cluster-assembled materials: toward nanomaterials with precise control over properties.

Qian M, Reber AC, Ugrinov A, Chaki NK, Mandal S, Saavedra HM, Khanna SN, Sen A, Weiss PS.

ACS Nano. 2010 Jan 26;4(1):235-40. doi: 10.1021/nn9010297.

PMID:
20038127
5.

From designer clusters to synthetic crystalline nanoassemblies.

Castleman AW Jr, Khanna SN, Sen A, Reber AC, Qian M, Davis KM, Peppernick SJ, Ugrinov A, Merritt MD.

Nano Lett. 2007 Sep;7(9):2734-41. Epub 2007 Aug 10.

PMID:
17691749
6.

Al(n)Bi clusters: transitions between aromatic and jellium stability.

Jones CE Jr, Clayborne PA, Reveles JU, Melko JJ, Gupta U, Khanna SN, Castleman AW.

J Phys Chem A. 2008 Dec 25;112(51):13316-25. doi: 10.1021/jp804667d.

PMID:
19053539
7.

Design of medium band gap Ag-Bi-Nb-O and Ag-Bi-Ta-O semiconductors for driving direct water splitting with visible light.

Wang L, Cao B, Kang W, Hybertsen M, Maeda K, Domen K, Khalifah PG.

Inorg Chem. 2013 Aug 19;52(16):9192-205. doi: 10.1021/ic400089s. Epub 2013 Jul 31.

PMID:
23901790
8.

Ab initio study of neutral (TiO2)n clusters and their interactions with water and transition metal atoms.

Cakır D, Gülseren O.

J Phys Condens Matter. 2012 Aug 1;24(30):305301. doi: 10.1088/0953-8984/24/30/305301. Epub 2012 Jul 4.

PMID:
22763370
9.

Stable T2Si(n) (T = Fe, Co, Ni, 1 < or = n < or = 8) cluster motifs.

Robles R, Khanna SN.

J Chem Phys. 2009 Apr 28;130(16):164313. doi: 10.1063/1.3123808. Erratum in: J Chem Phys. 2009 Jul 21;131(3):039902.

PMID:
19405585
10.

The Kohn-Sham density of states and band gap of water: from small clusters to liquid water.

Cabral do Couto P, Estácio SG, Costa Cabral BJ.

J Chem Phys. 2005 Aug 1;123(5):054510.

PMID:
16108672
11.

Massive band gap variation in layered oxides through cation ordering.

Balachandran PV, Rondinelli JM.

Nat Commun. 2015 Jan 30;6:6191. doi: 10.1038/ncomms7191.

PMID:
25635516
12.

Control of valence and conduction band energies in layered transition metal phosphates via surface functionalization.

Lentz LC, Kolb B, Kolpak AM.

Phys Chem Chem Phys. 2016 May 18;18(20):14122-8. doi: 10.1039/c6cp00994h.

PMID:
27157509
13.

Electronic structure of atomically precise graphene nanoribbons.

Ruffieux P, Cai J, Plumb NC, Patthey L, Prezzi D, Ferretti A, Molinari E, Feng X, Müllen K, Pignedoli CA, Fasel R.

ACS Nano. 2012 Aug 28;6(8):6930-5. doi: 10.1021/nn3021376. Epub 2012 Aug 7.

PMID:
22853456
14.

First principles scheme to evaluate band edge positions in potential transition metal oxide photocatalysts and photoelectrodes.

Toroker MC, Kanan DK, Alidoust N, Isseroff LY, Liao P, Carter EA.

Phys Chem Chem Phys. 2011 Oct 6;13(37):16644-54. doi: 10.1039/c1cp22128k. Epub 2011 Aug 19.

PMID:
21853210
15.

Screened coulomb hybrid DFT investigation of band gap and optical absorption predictions of CuVO3, CuNbO3 and Cu5Ta11O30 materials.

Harb M, Masih D, Takanabe K.

Phys Chem Chem Phys. 2014 Sep 14;16(34):18198-204. doi: 10.1039/c4cp02497d.

PMID:
25055167
16.

Electronic band structure of titania semiconductor nanosheets revealed by electrochemical and photoelectrochemical studies.

Sakai N, Ebina Y, Takada K, Sasaki T.

J Am Chem Soc. 2004 May 12;126(18):5851-8.

PMID:
15125677
17.

Electronically excited water aggregates and the adiabatic band gap of water.

Cabral do Couto P, Costa Cabral BJ.

J Chem Phys. 2007 Jan 7;126(1):014509.

PMID:
17212502
18.

The effect of cluster size on the optical band gap energy of Zn-based metal-organic frameworks.

Ghosh R, Pedicini AF, Rao PC, Asha KS, Reber AC, Mandal S.

Dalton Trans. 2015 Aug 14;44(30):13464-8. doi: 10.1039/c5dt02132d.

PMID:
26151648
19.

The electronic properties of superatom states of hollow molecules.

Feng M, Zhao J, Huang T, Zhu X, Petek H.

Acc Chem Res. 2011 May 17;44(5):360-8. doi: 10.1021/ar1001445. Epub 2011 Mar 17.

PMID:
21413734
20.

An electric field tunable energy band gap at silicene/(0001) ZnS interfaces.

Houssa M, van den Broek B, Scalise E, Pourtois G, Afanas'ev VV, Stesmans A.

Phys Chem Chem Phys. 2013 Mar 21;15(11):3702-5. doi: 10.1039/c3cp50391g.

PMID:
23403806
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