Volume 15; Issue 33

Physical Chemistry Chemical Physics

Volume 15; Issue 33

1

High performance PbS Quantum Dot Sensitized Solar Cells exceeding 4% efficiency: the role of metal precursors in the electron injection and charge separation

González-Pedro, Victoria, Sima, Cornelia, Marzari, Gabriela, Boix, Pablo P., Giménez, Sixto, Shen, Qing, Dittrich, Thomas, Mora-Seró, Iván

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.06 MB

english, 2013

2

Redox and electrochemical water splitting catalytic properties of hydrated metal oxide modified electrodes

Doyle, Richard L., Godwin, Ian J., Brandon, Michael P., Lyons, Michael E. G.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 7.00 MB

english, 2013

3

Electronic and optical properties of the triphenylamine-based organic dye sensitized TiO2 semiconductor: insight from first principles calculations

Liang, Jinxia, Zhu, Chun, Cao, Zexing

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.49 MB

english, 2013

4

Comprehensive investigation of the excited-state dynamics of push–pull triphenylamine dyes as models for photonic applications

Ishow, Eléna, Clavier, Gilles, Miomandre, Fabien, Rebarz, Mateusz, Buntinx, Guy, Poizat, Olivier

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.32 MB

english, 2013

5

Intramolecular proton transfer (IPT) in alkoxyamine: a theoretical investigation

Parkhomenko, Dmitriy, Bagryanskaya, Elena G., Marque, Sylvain R. A., Siri, Didier

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.41 MB

english, 2013

6

Experimental and theoretical studies of CO2 spectra for planetary atmosphere modelling: region 600–9650 cm−1 and pressures up to 60 atm

Filippov, Nikolai N., Asfin, Ruslan E., Sinyakova, Tatiana N., Grigoriev, Ivan M., Petrova, Tatiana M., Solodov, Alexandr M., Solodov, Alexandr A., Buldyreva, Jeanna V.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.13 MB

english, 2013

7

Yield strength of glued Langmuir–Blodgett films determined by friction force microscopy

Wagner, Kyle C., Wang, Yao, Regen, Steven L., Vezenov, Dmitri V.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.75 MB

english, 2013

8

Modeling the mechanism of glycosylation reactions between ethanol, 1,2-ethanediol and methoxymethanol

Azofra, Luis Miguel, Alkorta, Ibon, Toro-Labbé, Alejandro, Elguero, José

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.71 MB

english, 2013

9

Low temperature rate constants for the N(4S) + CH(X2Πr) reaction. Implications for N2 formation cycles in dense interstellar clouds

Daranlot, Julien, Hu, Xixi, Xie, Changjian, Loison, Jean-Christophe, Caubet, Philippe, Costes, Michel, Wakelam, Valentine, Xie, Daiqian, Guo, Hua, Hickson, Kevin M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.01 MB

english, 2013

10

Spectral tuning of the n-UV convertible oxynitride phosphor: orange color emitting realization via an energy transfer mechanism

Jia, Yongchao, Lü, Wei, Guo, Ning, Lü, Wenzhen, Zhao, Qi, You, Hongpeng

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.96 MB

english, 2013

11

Ligand field density functional theory calculation of the 4f2 → 4f15d1 transitions in the quantum cutter Cs2KYF6:Pr3+

Ramanantoanina, Harry, Urland, Werner, Cimpoesu, Fanica, Daul, Claude

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.95 MB

english, 2013

12

Comment on “The structure and formation of hydrogen-bonded molecular networks on Au(111) surfaces revealed by scanning tunnelling and torsional-tapping atomic force microscopy” by V. V. Korolkov, N. Mullin, S. Allen, C. J. Roberts, J. K. Hobbs and S. J. B. Tendler, Phys. Chem. Chem. Phys., 2012, 14, 15909

Cebula, Izabela, Räisänen, Minna T., Madueno, Rafael, Karamzadeh, Baharan, Buck, Manfred

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.18 MB

english, 2013

13

A new theoretical method for calculating the radiative association cross section of a triatomic molecule: application to N2–H−

Stoecklin, T., Lique, F., Hochlaf, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.32 MB

english, 2013

14

A DFT study on the [VO]1+–ZSM-5 cluster: direct methanol oxidation to formaldehyde by N2O

Fellah, Mehmet Ferdi, Onal, Isik

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.27 MB

english, 2013

15

A molecular perspective on nonaqueous biocatalysis: contributions from simulation studies

Lousa, Diana, Baptista, António M., Soares, Cláudio M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.15 MB

english, 2013

16

Quantification of ions with identical mass-to-charge (m/z) ratios by velocity-map imaging mass spectrometry

Bull, James N., Lee, Jason W. L., Vallance, Claire

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.47 MB

english, 2013

17

Formation of self-assembled Ag nanoparticles on DNA chains with enhanced catalytic activity

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.04 MB

english, 2013

18

How reliable is the hard–soft acid–base principle? An assessment from numerical simulations of electron transfer energies

Cárdenas, Carlos, Ayers, Paul W.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.31 MB

english, 2013

19

Orthorhombic C32: a novel superhard sp3 carbon allotrope

Zhang, Miao, Liu, Hanyu, Du, Yonghui, Zhang, Xinxin, Wang, Yanchao, Li, Quan

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.36 MB

english, 2013

20

Metal nanoparticles for nano-imaging and nano-analysis

Ando, Jun, Yano, Taka-aki, Fujita, Katsumasa, Kawata, Satoshi

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.68 MB

english, 2013

21

Surface potentials of (001), (012), (113) hematite (α-Fe2O3) crystal faces in aqueous solution

Chatman, Shawn, Zarzycki, Piotr, Rosso, Kevin M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.20 MB

english, 2013

22

Negligible water surface charge determined using Kelvin probe and total reflection X-ray fluorescence techniques

Shapovalov, Vladimir L., Möhwald, Helmuth, Konovalov, Oleg V., Knecht, Volker

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.23 MB

english, 2013

23

Synergy between polymorphism, pressure, spin-crossover and temperature in [Fe(PM-BiA)2(NCS)2]: a neutron powder diffraction investigation

Legrand, Vincent, Pechev, Stanislav, Létard, Jean-François, Guionneau, Philippe

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.96 MB

english, 2013

24

Constant-pressure simulations of Gay–Berne liquid-crystalline phases in cylindrical nanocavities

Karjalainen, Jouni, Lintuvuori, Juho, Telkki, Ville-Veikko, Lantto, Perttu, Vaara, Juha

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.29 MB

english, 2013

25

Hierarchical micro/nano-structured cobalt sulfide spindles as low-cost counter electrodes for dye-sensitized solar cells

Wang, Guiqiang, Zhuo, Shuping

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.36 MB

english, 2013

26

10.1039/C3CP52354C

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 4.44 MB

english

27

Circular dichroism nano-imaging of two-dimensional chiral metal nanostructures

Narushima, Tetsuya, Okamoto, Hiromi

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.82 MB

english, 2013

28

Enabling light-driven water oxidation via a low-energy RuIVO intermediate

Lewandowska-Andralojc, Anna, Polyansky, Dmitry E., Zong, Ruifa, Thummel, Randolph P., Fujita, Etsuko

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.23 MB

english, 2013

29

Transformation of a design peptide between the α-helix and β-hairpin structures using a helix-strand replica-exchange molecular dynamics simulation

Okumura, Hisashi, Itoh, Satoru G.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.61 MB

english, 2013

30

A parabolic model to control quantum interference in T-shaped molecular junctions

Nozaki, Daijiro, Sevinçli, Hâldun, Avdoshenko, Stanislav M., Gutierrez, Rafael, Cuniberti, Gianaurelio

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.44 MB

english, 2013

31

Weakly bound PTCDI and PTCDA dimers studied by using MP2 and DFT methods with dispersion correction

Oltean, Mircea, Mile, George, Vidrighin, Mihai, Leopold, Nicolae, Chiş, Vasile

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.24 MB

english, 2013

32

Determination of orientations of aromatic groups in self-assembled peptide fibrils by polarised Raman spectroscopy

Rodríguez-Pérez, José C., Hamley, Ian W., Squires, Adam M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.74 MB

english, 2013

33

The water R1(ω) NMRD profiles of a hydrated protein from molecular dynamics simulation

Huang, Yang, Nam, Kwangho, Westlund, Per-Olof

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.67 MB

english, 2013

34

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 949 KB

english, 2013

35

Non-humidified proton conduction between a Lewis acid–base pair

Ogawa, Takaya, Ohashi, Hidenori, Tamaki, Takanori, Yamaguchi, Takeo

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.69 MB

english, 2013

36

Semiconductor nanocrystals in sol–gel derived matrices

Liao, Yile, Xu, Yang, Chan, Yinthai

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.46 MB

english, 2013

37

Contents list

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 5.69 MB

english, 2013

38

Seeing the chemistry in biology with neutron crystallography

Langan, Paul, Chen, Julian C.-H.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.79 MB

english, 2013

39

Fine tuning and orientation control of surface Cu complexes on TiO2(110) premodified with mercapto compounds: the effect of different mercapto group positions

Takakusagi, Satoru, Nojima, Hirotaka, Ariga, Hiroko, Uehara, Hiromitsu, Miyazaki, Kotaro, Chun, Wang-Jae, Iwasawa, Yasuhiro, Asakura, Kiyotaka

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.25 MB

english, 2013

40

Synthesis of carbon-supported PdSn–SnO2 nanoparticles with different degrees of interfacial contact and enhanced catalytic activities for formic acid oxidation

Wang, Hui, Liu, Ziyue, Ma, Yanjiao, Julian, Key, Ji, Shan, Linkov, Vladimir, Wang, Rongfang

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.58 MB

english, 2013

41

Pattern transfer during deposition and fixation of oligomeric bisphenol A on pre-structured copper surfaces

Szillat, Florian, Fechner, Renate, Mayr, Stefan G.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.57 MB

english, 2013

42

Spectroscopic properties of electrochemically populated electronic states in nanostructured TiO2 films: anatase versus rutile

Berger, Thomas, Anta, Juan A., Morales-Flórez, Víctor

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.42 MB

english, 2013

43

Reply to the ‘Comment on “The structure and formation of hydrogen-bonded molecular networks on Au(111) surfaces revealed by scanning tunnelling and torsional-tapping atomic force microscopy”’ by I. Cebula, M. T. Räisänen, R. Madueno, B. Karamzadeh and M. Buck, Phys. Chem. Chem. Phys., 2013, 15, DOI: 10.1039/c3cp50754h

Korolkov, Vladimir V., Mullin, Nic, Allen, Stephanie, Roberts, Clive J., Hobbs, Jamie K., Tendler, Saul J. B.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 933 KB

english, 2013

44

Imaging reactions of acetone with oxygen adatoms on partially oxidized TiO2(110)

Xia, Yaobiao, Ye, Jingyun, Murray, Patrick, Ali, Amir, Ge, Qingfeng, Zhang, Zhenrong

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.58 MB

english, 2013

45

Tuning the electronic and optical properties of graphene and boron-nitride quantum dots by molecular charge-transfer interactions: a theoretical study

Bandyopadhyay, Arkamita, Yamijala, Sharma S. R. K. C., Pati, Swapan K.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.30 MB

english, 2013

46

Size-dependent melting and coalescence of tungsten nanoclusters via molecular dynamics simulation

Liu, Chun-Mei, Xu, Chao, Cheng, Yan, Chen, Xiang-Rong, Cai, Ling-Cang

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.29 MB

english, 2013

47

Thin and flexible solid-state organic ionic plastic crystal–polymer nanofibre composite electrolytes for device applications

Howlett, Patrick C., Ponzio, Florian, Fang, Jian, Lin, Tong, Jin, Liyu, Iranipour, Nahid, Efthimiadis, Jim

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.31 MB

english, 2013

48

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.14 MB

english, 2013

49

Vibronic coupling density analysis for the chain-length dependence of reorganization energies in oligofluorenes: a comparative study with oligothiophenes

Uejima, Motoyuki, Sato, Tohru, Tanaka, Kazuyoshi, Kaji, Hironori

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.47 MB

english, 2013

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