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Showing 1 to 12 of 41 entries
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Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites.

Nature materials

Tang Y, Gibbs ZM, Agapito LA, Li G, Kim HS, Nardelli MB, Curtarolo S, Snyder GJ.
PMID: 26436339
Nat Mater. 2015 Dec;14(12):1223-8. doi: 10.1038/nmat4430. Epub 2015 Oct 05.

Filled skutterudites R(x)Co4Sb12 are excellent n-type thermoelectric materials owing to their high electronic mobility and high effective mass, combined with low thermal conductivity associated with the addition of filler atoms into the void site. The favourable electronic band structure...

[Chronic HPV correlated lymphedema of external genitals: a case report].

Le infezioni in medicina

Sapienza M, Curatolo S, La Greca S, Castelli G, Di Gregorio P.
PMID: 12714844
Infez Med. 2000;8(4):234-236.

The Authors describe an unusual case of association between skin lymphangiomas and HPV infection in external genitals. The encountered difficulties in diagnosis represented an excellent example of efficient integration among specialists of different medical branches

Structures and topological transitions of hydrocarbon films on quasicrystalline surfaces.

Physical review letters

Setyawan W, Diehl RD, Curtarolo S.
PMID: 19257517
Phys Rev Lett. 2009 Feb 06;102(5):055501. doi: 10.1103/PhysRevLett.102.055501. Epub 2009 Feb 03.

Lubricants can affect quasicrystalline coating surfaces by modifying the commensurability of the interfaces. We report results of the first computer simulation studies of physically adsorbed hydrocarbons on a quasicrystalline surface: methane, propane, and benzene on decagonal Al-Ni-Co. The grand...

Surface geometry of C(60) on Ag(111).

Physical review letters

Li HI, Pussi K, Hanna KJ, Wang LL, Johnson DD, Cheng HP, Shin H, Curtarolo S, Moritz W, Smerdon JA, McGrath R, Diehl RD.
PMID: 19792515
Phys Rev Lett. 2009 Jul 31;103(5):056101. doi: 10.1103/PhysRevLett.103.056101. Epub 2009 Jul 27.

The geometry of adsorbed C(60) influences its collective properties. We report the first dynamical low-energy electron diffraction study to determine the geometry of a C(60) monolayer, Ag(111)-(2 square root of 3 x 2 square root of 3) 30 degrees...

Evolution of topological order in Xe films on a quasicrystal surface.

Physical review letters

Curtarolo S, Setyawan W, Ferralis N, Diehl RD, Cole MW.
PMID: 16197154
Phys Rev Lett. 2005 Sep 23;95(13):136104. doi: 10.1103/PhysRevLett.95.136104. Epub 2005 Sep 21.

We report results of the first computer simulation studies of a physically adsorbed gas on a quasicrystalline surface Xe on decagonal Al-Ni-Co. The grand canonical Monte Carlo method is employed, using a semiempirical gas-surface interaction, based on conventional combining...

A search model for topological insulators with high-throughput robustness descriptors.

Nature materials

Yang K, Setyawan W, Wang S, Buongiorno Nardelli M, Curtarolo S.
PMID: 22581314
Nat Mater. 2012 May 13;11(7):614-9. doi: 10.1038/nmat3332.

Topological insulators (TI) are becoming one of the most studied classes of novel materials because of their great potential for applications ranging from spintronics to quantum computers. To fully integrate TI materials in electronic devices, high-quality epitaxial single-crystalline phases...

High-entropy high-hardness metal carbides discovered by entropy descriptors.

Nature communications

Sarker P, Harrington T, Toher C, Oses C, Samiee M, Maria JP, Brenner DW, Vecchio KS, Curtarolo S.
PMID: 30478375
Nat Commun. 2018 Nov 26;9(1):4980. doi: 10.1038/s41467-018-07160-7.

High-entropy materials have attracted considerable interest due to the combination of useful properties and promising applications. Predicting their formation remains the major hindrance to the discovery of new systems. Here we propose a descriptor-entropy forming ability-for addressing synthesizability from...

Mechanical Properties of Chemically Modified Clay.

Scientific reports

Gusmão MSS, Gopal P, Siloi I, Curtarolo S, Fornari M, Nardelli MB.
PMID: 31548556
Sci Rep. 2019 Sep 23;9(1):13698. doi: 10.1038/s41598-019-49972-7.

Serpentine clay minerals are found in many geological settings. The rich diversity, both in chemical composition and crystal structure, alters the elastic behavior of clay rocks significantly, thus modifying seismic and sonic responses to shaley sequences. Computation of the...

AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals.

Acta crystallographica. Section A, Foundations and advances

Hicks D, Oses C, Gossett E, Gomez G, Taylor RH, Toher C, Mehl MJ, Levy O, Curtarolo S.
PMID: 29724965
Acta Crystallogr A Found Adv. 2018 May 01;74:184-203. doi: 10.1107/S2053273318003066. Epub 2018 May 03.

Determination of the symmetry profile of structures is a persistent challenge in materials science. Results often vary amongst standard packages, hindering autonomous materials development by requiring continuous user attention and educated guesses. This article presents a robust procedure for...

Settling the matter of the role of vibrations in the stability of high-entropy carbides.

Nature communications

Esters M, Oses C, Hicks D, Mehl MJ, Jahnátek M, Hossain MD, Maria JP, Brenner DW, Toher C, Curtarolo S.
PMID: 34593798
Nat Commun. 2021 Sep 30;12(1):5747. doi: 10.1038/s41467-021-25979-5.

High-entropy ceramics are attracting significant interest due to their exceptional chemical stability and physical properties. While configurational entropy descriptors have been successfully implemented to predict their formation and even to discover new materials, the contribution of vibrations to their...

Reduced carbon solubility in Fe nanoclusters and implications for the growth of single-walled carbon nanotubes.

Physical review letters

Harutyunyan AR, Awasthi N, Jiang A, Setyawan W, Mora E, Tokune T, Bolton K, Curtarolo S.
PMID: 18518458
Phys Rev Lett. 2008 May 16;100(19):195502. doi: 10.1103/PhysRevLett.100.195502. Epub 2008 May 14.

Fe nanoclusters are becoming the standard catalysts for growing single-walled carbon nanotubes via chemical vapor decomposition. Contrary to the Gibbs-Thompson model, we find that the reduction of the catalyst size requires an increase of the minimum temperature necessary for...

Two birds one stone: semaglutide is highly effective against severe psoriasis in a type 2 diabetic patient.

Endocrinology, diabetes & metabolism case reports

Costanzo G, Curatolo S, Busà B, Belfiore A, Gullo D.
PMID: 34463640
Endocrinol Diabetes Metab Case Rep. 2021 Aug 01;2021. doi: 10.1530/EDM-21-0007. Epub 2021 Aug 01.

SUMMARY: Semaglutide is a glucagon-like peptide 1 (GLP-1) receptor agonist, approved for the treatment of type 2 diabetes mellitus (T2DM). GLP-1 analogs exert several biological activities connected not only with an insulinotropic effect but also with immunoregulation and reduction...

Showing 1 to 12 of 41 entries