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Showing 1 to 12 of 230 entries
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Anomalous Structural Disorder in Supported Pt Nanoparticles.

The journal of physical chemistry letters

Vila FD, Rehr JJ, Nuzzo RG, Frenkel AI.
PMID: 28669195
J Phys Chem Lett. 2017 Jul 20;8(14):3284-3288. doi: 10.1021/acs.jpclett.7b01446. Epub 2017 Jul 06.

Supported Pt nanocatalysts generally exhibit anomalous behavior, including negative thermal expansion and large structural disorder. Finite temperature DFT/MD simulations reproduce these properties, showing that they are largely explained by a combination of thermal vibrations and low-frequency disorder. We show...

Low-Temperature Transformation of Methane to Methanol on Pd.

Angewandte Chemie (International ed. in English)

Huang W, Zhang S, Tang Y, Li Y, Nguyen L, Li Y, Shan J, Xiao D, Gagne R, Frenkel AI, Tao FF.
PMID: 27717086
Angew Chem Int Ed Engl. 2016 Oct 17;55(43):13441-13445. doi: 10.1002/anie.201604708. Epub 2016 Sep 26.

Direct conversion of methane to chemical feedstocks such as methanol under mild conditions is a challenging but ideal solution for utilization of methane. Pd

Analysis of autoxidized fats by gas chromatography-mass spectrometry: VI. Methyl 9,15- and 12,15-octadecadienoate.

Lipids

Frankel EN, Dufek EJ, Neff WE.
PMID: 27520935
Lipids. 1980 Sep;15(9):661-7. doi: 10.1007/BF02534016.

The gas chromatography-mass spectrometry (GC-MS) method developed in preceding papers was extended to the structural analysis of autoxidation products of methylcis-9,cis-15-octadecadienoate and of an 87% concentrate ofcis-12,cis-15-octadecadienoate. Eight isomeric hydroxydienes with one allylic and one isolated double bond were...

Determination of bimetallic architectures in nanometer-scale catalysts by combining molecular dynamics simulations with x-ray absorption spectroscopy.

The Journal of chemical physics

Timoshenko J, Keller KR, Frenkel AI.
PMID: 28330363
J Chem Phys. 2017 Mar 21;146(11):114201. doi: 10.1063/1.4978500.

Here we present an approach for the determination of an atomic structure of small bimetallic nanoparticles by combining extended X-ray absorption fine structure spectroscopy and classical molecular dynamics simulations based on the Sutton-Chen potential. The proposed approach is illustrated...

How strain affects the reactivity of surface metal oxide catalysts.

Angewandte Chemie (International ed. in English)

Amakawa K, Sun L, Guo C, Hävecker M, Kube P, Wachs IE, Lwin S, Frenkel AI, Patlolla A, Hermann K, Schlögl R, Trunschke A.
PMID: 24259425
Angew Chem Int Ed Engl. 2013 Dec 16;52(51):13553-7. doi: 10.1002/anie.201306620. Epub 2013 Nov 20.

Highly dispersed molybdenum oxide supported on mesoporous silica SBA-15 has been prepared by anion exchange resulting in a series of catalysts with changing Mo densities (0.2-2.5 Mo atoms nm(-2) ). X-ray absorption, UV/Vis, Raman, and IR spectroscopy indicate that...

Patella or not?. (Is the patella component the 'Cinderella' of total knee arthroplasty?).

The Knee

Mendes DG, Fraenkel P.
PMID: 11104910
Knee. 2000 Dec 01;7(4):205-206. doi: 10.1016/s0968-0160(00)00070-3.

No abstract available.

Direct separation of short range order in intermixed nanocrystalline and amorphous phases.

Physical review letters

Frenkel AI, Kolobov AV, Robinson IK, Cross JO, Maeda Y, Bouldin CE.
PMID: 12513157
Phys Rev Lett. 2002 Dec 31;89(28):285503. doi: 10.1103/PhysRevLett.89.285503. Epub 2002 Dec 27.

Diffraction anomalous fine-structure (DAFS) and extended x-ray absorption fine-structure (EXAFS) measurements were combined to determine short range order (SRO) about a single atomic type in a sample of mixed amorphous and nanocrystalline phases of germanium. EXAFS yields information about...

Experimental and theoretical studies on the reaction of H(2) with NiO: role of O vacancies and mechanism for oxide reduction.

Journal of the American Chemical Society

Rodriguez JA, Hanson JC, Frenkel AI, Kim JY, Pérez M.
PMID: 11782187
J Am Chem Soc. 2002 Jan 16;124(2):346-54. doi: 10.1021/ja0121080.

Reduction of an oxide in hydrogen is a method frequently employed in the preparation of active catalysts and electronic devices. Synchrotron-based time-resolved X-ray diffraction (XRD), X-ray absorption fine structure (NEXAFS/EXAFS), photoemission, and first-principles density-functional (DF) slab calculations were used...

[The psyche: historical panorama covering 1000 years; 2 new ideas].

Revista brasileira de medicina

FRANKEL PE.
PMID: 13047740
Rev Bras Med. 1951 Dec;8(12):855-7.

No abstract available.

A natural representation of the Fischer-Griess Monster with the modular function J as character.

Proceedings of the National Academy of Sciences of the United States of America

Frenkel IB, Lepowsky J, Meurman A.
PMID: 16593469
Proc Natl Acad Sci U S A. 1984 May;81(10):3256-60. doi: 10.1073/pnas.81.10.3256.

We announce the construction of an irreducible graded module V for an "affine" commutative nonassociative algebra [unk]. This algebra is an "affinization" of a slight variant [unk] of the commutative nonassociative algebra B defined by Griess in his construction...

XAFS analysis of particle size effect on local structure in BaTiO3.

Journal of synchrotron radiation

Frenkel AI, Frey MH, Payne DA.
PMID: 15263364
J Synchrotron Radiat. 1999 May 01;6:515-7. doi: 10.1107/S0909049598018135. Epub 1999 May 01.

No abstract available.

Sub-nanometer Au monolayer-protected clusters exhibiting molecule-like electronic behavior: quantitative high-angle annular dark-field scanning transmission electron microscopy and electrochemical characterization of clusters with precise atomic stoichiometry.

The journal of physical chemistry. B

Menard LD, Gao SP, Xu H, Twesten RD, Harper AS, Song Y, Wang G, Douglas AD, Yang JC, Frenkel AI, Nuzzo RG, Murray RW.
PMID: 16805585
J Phys Chem B. 2006 Jul 06;110(26):12874-83. doi: 10.1021/jp060739g.

The synthesis and characterization of the clusters Au13[PPh3]4[S(CH2)11CH3]2Cl2 (1) and Au13[PPh3]4[S(CH2)11CH3]4 (2) are described. These mixed-ligand, sub-nanometer clusters, prepared via exchange of dodecanethiol onto phosphine-halide gold clusters, show enhanced stability relative to the parent. The characterization of these clusters...

Showing 1 to 12 of 230 entries