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You searched for: Journal The Journal of Physical Chemistry C Remove constraint Journal: The Journal of Physical Chemistry C Publication Year 2016 Remove constraint Publication Year: 2016 Source 2016 v.120 no.23 Remove constraint Source: 2016 v.120 no.23 Subject physical chemistry Remove constraint Subject: physical chemistry
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1. Cantilever Ringdown Dissipation Imaging for the Study of Loss Processes in Polymer/Fullerene Solar Cells

Author:
Cox, Phillip A.; Flagg, Lucas Q.; Giridharagopal, Rajiv; Ginger, David S.
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12369-12376
ISSN:
1932-7455
Subject:
atomic force microscopy; butyric acid; fullerene; image analysis; photooxidation; photovoltaic cells; physical chemistry; polymers; semiconductors; solvents
Abstract:
... We use dissipation imaging to probe local changes in electronic properties of nanostructured semiconductor films due to local photochemistry. We make quantitative maps of electrostatic dissipation due to photogenerated carriers by measuring the ringdown time of an oscillating atomic force microscope cantilever. Using organic photovoltaic materials as a testbed, we study macroscopic device degradat ...
DOI:
10.1021/acs.jpcc.6b03160

2. Chemical Understanding of the Mechanisms Involved in Mitigation of Charged Impurity Effects by Polar Molecules on Graphene

Author:
Worley, Barrett C.; Haws, Ryan T.; Rossky, Peter J.; Dodabalapur, Ananth
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12909-12916
ISSN:
1932-7455
Subject:
air; electric power; electrons; electrostatic interactions; graphene; physical chemistry; screening; transistors; vapors
Abstract:
... It is well-known that the transport properties of monolayer graphene are degraded by charged impurities present between graphene and either a given substrate or air. Such impurities cause charge scattering of holes and electrons in graphene. In previous work, our group has used both fluoropolymer thin films and polar vapor molecules to dramatically improve graphene field-effect transistor (FET) de ...
DOI:
10.1021/acs.jpcc.6b03853

3. Computational Model of Domain-Specific Reactivity on Coated Ferroelectric Photocatalysts

Author:
Glickstein, James J.; Salvador, Paul A.; Rohrer, Gregory S.
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12673-12684
ISSN:
1932-7455
Subject:
hydrogen; models; oxidation; photocatalysts; physical chemistry; reaction kinetics; titanium dioxide
Abstract:
... The optimization of coated ferroelectric photocatalysts represents a promising pathway toward competitive efficiencies. Here, we present a computational model that is used to predict the internal quantum efficiency (IQE) of individual coated ferroelectric domains. Criteria are identified that enable increased efficiencies. The net current favored on a negatively polarized domain of BaTiO₃ coated w ...
DOI:
10.1021/acs.jpcc.6b03875

4. Electronic Properties of Pure and Fe-Doped β-Ni(OH)2: New Insights Using Density Functional Theory with a Cluster Approach

Author:
Butera, Valeria; Caspary Toroker, Maytal
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12344-12350
ISSN:
1932-7455
Subject:
catalysts; catalytic activity; iron; nickel; oxidation; oxygen production; physical chemistry
Abstract:
... NiOₓ has recently emerged as a robust catalyst with high catalytic activity for water oxidation reaction. Despite extensive studies, the origin of the high oxygen evolution reaction activity upon Fe doping is not fully solved, even for one of its simplest phases, β-Ni(OH)₂. We present here density functional theory calculations using for the first time a cluster approach to revisit the electronic ...
DOI:
10.1021/acs.jpcc.6b01501

5. Electronic Structure of Low-Dimensional Carbon π-Systems

Author:
García-Lastra, J. M.; Boukahil, Idris; Qiao, Ruimin; Rubio, Angel; Himpsel, F. J.
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12362-12368
ISSN:
1932-7455
Subject:
X-ray absorption spectroscopy; beta-carotene; energy; graphene; lycopene; models; nanowires; photovoltaic cells; physical chemistry; retinoic acid; vitamin A
Abstract:
... X-ray absorption spectroscopy (XAS) is combined with density functional theory (DFT) to determine the orbitals of one- and two-dimensional carbon π-systems (lycopene, beta-carotene, retinal, retinol, retinoic acid, coronene, triphenylene). Considerable fine structure is observed for the transition from the C 1s level to the lowest unoccupied molecular orbital (LUMO) and explained by DFT. The wave ...
DOI:
10.1021/acs.jpcc.6b02530

6. Energy Landscape of Molecular Motion in Cubic Methylammonium Lead Iodide from First-Principles

Author:
Bechtel, Jonathon S.; Seshadri, Ram; Van der Ven, Anton
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12403-12410
ISSN:
1932-7455
Subject:
cations; energy; iodides; physical chemistry
Abstract:
... Molecular A-cation dynamics are known to play a role in the electronic properties and structure of hybrid organic–inorganic ABX₃ perovskites such as CH₃NH₃PbI₃. We calculate the full energy landscape for rigid-body rotations and translations of the methylammonium cation in the cubic phase of CH₃NH₃PbI₃. Energy barriers are calculated for combinations of molecular reorientation, on-axis rotation, a ...
DOI:
10.1021/acs.jpcc.6b03570

7. Enhanced Actuation Response of Nafion-Based Ionic Polymer Metal Composites by Doping BaTiO3 Nanoparticles

Author:
Bian, Kan; Liu, Hongguang; Tai, Guoan; Zhu, Kongjun; Xiong, Ke
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12377-12384
ISSN:
1932-7455
Subject:
physical chemistry; actuators; barium titanate; electrodes; asymmetric membranes; capacitance; electrochemistry; mechanical properties; nanocomposites; electric power; polymers; nanoparticles; water uptake
Abstract:
... Nafion-based composite membranes by doping BaTiO₃ nanoparticles were prepared to fabricate high-performance ionic polymer metal composite (IPMC) actuators. BaTiO₃/Nafion nanocomposites were evaluated in terms of their static mechanical properties, water uptake, surface resistivity, electrochemical impedance, and actuation behaviors. The results show that the BaTiO₃/Nafion-based IPMCs have higher i ...
DOI:
10.1021/acs.jpcc.6b03273

8. Fast and Energy Efficient Synthesis of ZnO@RGO and its Application in Ni–Zn Secondary Battery

Author:
Sun, Lianshan; Yi, Zheng; Lin, Jing; Liang, Fei; Wu, Yaoming; Cao, Zhanyi; Wang, Limin
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12337-12343
ISSN:
1932-7455
Subject:
batteries; borohydrides; coatings; electrochemistry; electrodes; electrolytes; energy efficiency; graphene oxide; physical chemistry; surfactants; zinc; zinc oxide
Abstract:
... ZnO with a uniform and complete coating of reduced graphene oxide (RGO) was prepared by a facile and rapid reaction using a solution synthesis scheme. A synthetic route that ZnO was first grown in situ on the GO surface and then reduced by NaBH₄ was proposed, and an optimum coating structure was obtained by investigating the effect of precipitators, surfactant and additive amount of GO. After the ...
DOI:
10.1021/acs.jpcc.6b01025

9. Fermi Level Control of Gold Nanoparticle by the Support: Activation of the Catalysis for Selective Aerobic Oxidation of Alcohols

Author:
Naya, Shin-ichi; Teranishi, Miwako; Aoki, Ryo; Tada, Hiroaki
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12440-12445
ISSN:
1932-7455
Subject:
X-ray photoelectron spectroscopy; aqueous solutions; benzoic acid; benzyl alcohol; catalytic activity; energy; gold; nanogold; oxidation; particle size; physical chemistry
Abstract:
... Comparable amounts of gold nanoparticles (Au NPs) with varying mean particle size (d) in the range of 2.7 < dAᵤ < 8.4 nm were loaded on various metal oxide supports with dMO > ∼60 nm (Au/MOs) by the heating temperature-varied deposition–precipitation method. The Au 4f X-ray photoelectron spectra for the Au/MOs indicate that the electron density or the Fermi energy level of Au NP can be effectively ...
DOI:
10.1021/acs.jpcc.6b01738

10. Hierarchical CuO Colloidosomes and Their Structure Enhanced Photothermal Catalytic Activity

Author:
Xu, Jie; Li, Xiaoman; Wu, Xuan; Wang, Wenzhong; Fan, Rong; Liu, Xiaokong; Xu, Haolan
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12666-12672
ISSN:
1932-7455
Subject:
ambient temperature; carbon monoxide; catalytic activity; cupric oxide; cuprous oxide; droplets; emulsifiers; emulsions; irradiation; oxidation; physical chemistry
Abstract:
... Hierarchical CuO colloidosomes (hollow spheres) constructed by subunit of open-mouthed hollow spheres that consist of 2D nanoleaves are synthesized via a Pickering emulsion strategy. Cu₂O particles were served as emulsifier particles to form the Pickering emulsions. Self-oxidation of Cu₂O gave rise to the formation of CuO nanoleaves which spontaneously cross-link the neighboring particles on the e ...
DOI:
10.1021/acs.jpcc.6b03750

11. Hierarchical Route for the Fabrication of Cavitand-Modified Nanostructured ZnO Fibers for Volatile Organic Compound Detection

Author:
Tudisco, Cristina; Fragalà, Maria Elena; Giuffrida, Antonino E.; Bertani, Federico; Pinalli, Roberta; Dalcanale, Enrico; Compagnini, Giuseppe; Condorelli, Guglielmo G.
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12611-12617
ISSN:
1932-7455
Subject:
Fourier transform infrared spectroscopy; X-ray photoelectron spectroscopy; alkynes; azides; nanorods; physical chemistry; vapors; volatile organic compounds; zinc oxide
Abstract:
... A hierarchical hybrid inorganic–organic system suited for the recognition of aromatic volatile organic compounds on brushlike ZnO fibers was synthetized. The hybrid material was obtained by a multistep approach based on the growth of ZnO nanorods onto electrospun ZnO fibers (average diameter 200 nm). The obtained nanostructured ZnO brushlike fibers (overall diameter 2 μm) were functionalized throu ...
DOI:
10.1021/acs.jpcc.6b03502

12. Metallic Functionalization of CdSe 2D Nanoplatelets and Its Impact on Electronic Transport

Author:
Mahler, Benoit; Guillemot, Loic; Bossard-Giannesini, Léo; Ithurria, Sandrine; Pierucci, Debora; Ouerghi, Abdelkarim; Patriarche, Gilles; Benbalagh, Rabah; Lacaze, Emmanuelle; Rochet, François; Lhuillier, Emmanuel
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12351-12361
ISSN:
1932-7455
Subject:
X-ray photoelectron spectroscopy; energy; gold; microscopy; oxidation; physical chemistry; semiconductors; temperature
Abstract:
... We explore the gold functionalization of 2D CdSe nanoplatelets (NPL) as a possible way to tune their electronic and transport properties. We demonstrate that the size and location of the gold tip can be controlled using light and temperature. The Au tip–CdSe NPL hybrid presents a large rise of the conductance compared to the pristine semiconductor (i.e., without gold functionalization). The role o ...
DOI:
10.1021/acs.jpcc.6b02101

13. Molecular Origins of Defects in Organohalide Perovskites and Their Influence on Charge Carrier Dynamics

Author:
Stewart, Robert J.; Grieco, Christopher; Larsen, Alec V.; Doucette, Grayson S.; Asbury, John B.
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12392-12402
ISSN:
1932-7455
Subject:
X-ray diffraction; coordination compounds; iodides; photoluminescence; photovoltaic cells; physical chemistry; spectroscopy
Abstract:
... The chemical origins of charge recombination centers in lead-based organohalide perovskites were investigated using a combination of quantitative solution chemistry, X-ray diffraction, and time-resolved photoluminescence spectroscopy. We explored the complex, concentration-dependent solution equilibria among iodoplumbate coordination complexes that have been implicated as potential midgap states i ...
DOI:
10.1021/acs.jpcc.6b03472

14. Orientation-Sensitive Peptide-Induced Plasmonic Circular Dichroism in Silver Nanocubes

Author:
Levi-Belenkova, Tatyana; Govorov, Alexander O.; Markovich, Gil
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12751-12756
ISSN:
1932-7455
Subject:
circular dichroism spectroscopy; cysteine; models; nanomaterials; peptides; physical chemistry; silver
Abstract:
... Polyproline II-based helical peptides were adsorbed to silver nanocubes through a cysteine linker and induced circular dichroism (CD) in two of their plasmon resonance modes. Inversion of the peptide’s orientation with respect to the surface led to inversion of the plasmonic CD signal. This phenomenon could not be explained by the simple molecule–plasmon dipolar interaction model and could be due ...
DOI:
10.1021/acs.jpcc.6b03803

15. Photoabsorption of Icosahedral Noble Metal Clusters: An Efficient TDDFT Approach to Large-Scale Systems

Author:
Baseggio, Oscar; De Vetta, Martina; Fronzoni, Giovanna; Stener, Mauro; Sementa, Luca; Fortunelli, Alessandro; Calzolari, Arrigo
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12773-12782
ISSN:
1932-7455
Subject:
algorithms; gold; physical chemistry; silver; variance
Abstract:
... We apply a recently developed time-dependent density functional theory (TDDFT) algorithm based on the complex dynamical polarizability to calculate the photoabsorption spectrum of the following series of closed-shell icosahedral clusters of increasing size (namely, [M₁₃]⁵⁺, [M₅₅]³–, [M₁₄₇]⁻, and [M₃₀₉]³⁺ with M = Ag, Au), focusing in particular on their plasmonic response. The new method is shown ...
DOI:
10.1021/acs.jpcc.6b04709

16. Plasmonic Resonances in the Al13– Cluster: Quantification and Origin of Exciton Collectivity

Author:
Casanova, David; Matxain, Jon M.; Ugalde, Jesus M.
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12742-12750
ISSN:
1932-7455
Subject:
aluminum; models; nanomaterials; physical chemistry; quantitative analysis
Abstract:
... Recently, plasmonic resonances in molecules, clusters, and nanostructures have gathered a lot of attention for their potential range of applicability. Unlike other metal nanostructures, a wide variety of aluminum nanostructures show very promising plasmonic properties. Theoretical and computational investigations helped to understand the nature of collective excitations in such finite systems. How ...
DOI:
10.1021/acs.jpcc.6b03210

17. Selective Manipulation of Molecules by Electrostatic Force and Detection of Single Molecules in Aqueous Solution

Author:
Yan, Zhongbo; Xia, Ming; Wang, Pu; Zhang, Pei; Liang, Owen; Xie, Ya-Hong
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12765-12772
ISSN:
1932-7455
Subject:
Raman spectroscopy; aqueous solutions; biochemical compounds; biosensors; electrodes; electrostatic interactions; medical equipment; pH; physical chemistry
Abstract:
... Manipulation of biomolecules in aqueous solution has been a critical issue for the development of many biosensing techniques and biomedical devices. Electrostatic force is an effective method for increasing both sensitivity and selectivity of various biosensing techniques. In this study, we employed surface-enhanced Raman spectroscopy (SERS) as an in situ label-free method to monitor the motion of ...
DOI:
10.1021/acs.jpcc.6b04761

18. Solvent-Assisted Interfacial Assembly of Copper Tetra-(tert-Butyl)-Phthalocyanine into Ultrathin Films

Author:
Kolker, Arkadiy M.; Erokhin, Victor; Borovkov, Nicholas Yu.
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12706-12712
ISSN:
1932-7455
Subject:
copper; microscopy; physical chemistry; silicon; solvents; spectroscopy; water uptake; xylene
Abstract:
... Nowadays, the assembling of metallophthalocyanines into well-structured thin films via wet-processing techniques is a topic of active research. This process is addressed in the present study devoted to Langmuir–Schaeffer (LS) films of copper tetra-(tert-butyl)-phthalocyanine. The LS films were prepared by using o-xylene as a spreading solvent and, concurrently, as a modulator of the film growth. T ...
DOI:
10.1021/acs.jpcc.6b04180

19. Spectroscopic Study of Graphene Oxide Membranes Exposed to Ultraviolet Light

Author:
Schwenzer, Birgit; Kaspar, Tiffany C.; Shin, Yongsoon; Gotthold, David W.
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12559-12567
ISSN:
1932-7455
Subject:
X-ray diffraction; graphene oxide; physical chemistry; spectral analysis; spectroscopy; ultraviolet radiation
Abstract:
... Hierarchically stacked graphene oxide (GO) membranes have been observed to undergo physical and chemical changes under ambient conditions. In this study, the slow degradation of GO membranes is mimicked and accelerated by UV light (254 nm) exposure. Spectroscopic and X-ray diffraction analyses confirm that the observed changes, including macroscopic as well as atomic-scale alterations, cannot be a ...
DOI:
10.1021/acs.jpcc.6b03033

20. Stripping and Transforming Alloyed Semiconductor Quantum Dots via Atomic Interdiffusion

Author:
Kafle, Bijesh; Tesema, Tefera E.; Kazemi, Alireza; Habteyes, Terefe G.
Source:
The Journal of Physical Chemistry C 2016 v.120 no.23 pp. 12850-12859
ISSN:
1932-7455
Subject:
X-ray photoelectron spectroscopy; chemical composition; nanocrystals; photoluminescence; physical chemistry; quantum dots; silicon; surfactants; wavelengths; zinc sulfide
Abstract:
... We report the transformation of near-infrared CdSeTe/ZnS quantum dots (QDs) that are exposed to water. When the colloidal QDs with 840 nm emission wavelength and 75 nm spectral line width are self-assembled on water surface and transferred to an oxide-coated silicon wafer using a Langmuir–Blodgett (LB) procedure, two prominent relatively sharp photoluminescence (PL) bands are observed at ∼630 and ...
DOI:
10.1021/acs.jpcc.6b02988