Comment on “Electronic properties and charge transfer phenomena in Pt nanoparticles on γ-Al2O3: size, shape, support, and adsorbate effects” by F. Behafarid et al., Phys. Chem. Chem. Phys., 2012, 14, 11766–11779

2012 ◽  
Vol 14 (48) ◽  
pp. 16773 ◽  
Author(s):  
P. Raybaud ◽  
C. Chizallet ◽  
H. Toulhoat ◽  
P. Sautet
Keyword(s):  
Charge Transfer ◽  
Electronic Properties ◽  
Pt Nanoparticles ◽  
Chem Phys ◽  
Phys Chem Chem Phys

scholarly journals Reply to the ‘Comment on “Charge Transfer to Solvent Dynamics in Iodide Aqueous Solution Studied at Ionization Threshold”’ by A. Lübcke and H.-H. Ritze, Phys. Chem. Chem. Phys., 2015, 17, DOI: 10.1039/C5CP00346F

2015 ◽  
Vol 17 (27) ◽  
pp. 18195-18196
Author(s):  
Alexander Kothe ◽  
Martin Wilke ◽  
Alexandre Moguilevski ◽  
Nicholas Engel ◽  
Bernd Winter ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Charge Transfer ◽  
Intermediate State ◽  
Chem Phys ◽  
Ionization Threshold ◽  
Multiphoton Excitation ◽  
Solvent Dynamics ◽  
Charge Transfer Dynamics ◽  
Transient Intermediate ◽  
Phys Chem Chem Phys

Following multiphoton excitation above the vacuum threshold, the charge transfer dynamics involves the population of a transient intermediate state, |t〉.

scholarly journals Correction: Multifaceted aspects of charge transfer

2021 ◽  
Author(s):  
James B. Derr ◽  
Jesse Tamayo ◽  
John A. Clark ◽  
Maryann Morales ◽  
Maximillian F. Mayther ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Chem Phys ◽  
Phys Chem Chem Phys

Correction for ‘Multifaceted aspects of charge transfer’ by James B. Derr et al., Phys. Chem. Chem. Phys., 2020, 22, 21583–21629, DOI: 10.1039/d0cp01556c.

Comment on “Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential” by M. Mohammadpour, M. H. Khodabandeh, L. Visscher and Z. Jamshidi, Phys. Chem. Chem. Phys., 2017, 19, 7833

2017 ◽  
Vol 19 (40) ◽  
pp. 27888-27891 ◽  
Author(s):  
D. Aranda ◽  
J. Román-Pérez ◽  
I. López-Tocón ◽  
J. Soto ◽  
F. Avila ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Electrode Potential ◽  
Chem Phys ◽  
Selection Rules ◽  
Phys Chem Chem Phys

Different theoretical tools for modelling the complex role of the electrode potential in SERS are highlighted.

Electronic properties and charge transfer phenomena in Pt nanoparticles on γ-Al2O3: size, shape, support, and adsorbate effects

2012 ◽  
Vol 14 (33) ◽  
pp. 11766 ◽  
Author(s):  
F. Behafarid ◽  
L. K. Ono ◽  
S. Mostafa ◽  
J. R. Croy ◽  
G. Shafai ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Electronic Properties ◽  
Pt Nanoparticles

Reply to the ‘Comment on “Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential”’ by M. Mohammadpour, M. H. Khodabandeh, L. Visscher and Z. Jamshidi, Phys. Chem. Chem. Phys., 2017, 19, 7833

2017 ◽  
Vol 19 (40) ◽  
pp. 27892-27894 ◽  
Author(s):  
Zahra Jamshidi ◽  
Mohammad Hassan Khodabandeh ◽  
Mozhdeh Mohammadpour ◽  
Lucas Visscher
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Electrode Potential ◽  
Chem Phys ◽  
Selection Rules ◽  
Phys Chem Chem Phys

The role of electrode potential in the amount of charge-transfer, stability of metal-pyridine and pattern of SERS spectra is investigated.

Comment on “Is the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case study” by M.-M. Li, J.-F. Li, H.-C. Bai, Y.-Y. Sun, J.-L. Li and B. Yin, Phys. Chem. Chem. Phys., 2015, 17, 20338

2016 ◽  
Vol 18 (22) ◽  
pp. 15456-15457 ◽  
Author(s):  
Manuel Díaz-Tinoco ◽  
J. V. Ortiz
Keyword(s):  
Green Function ◽  
Ab Initio ◽  
Electronic Properties ◽  
Organic Molecules ◽  
Chem Phys ◽  
Coupled Cluster ◽  
High Level ◽  
Outer Valence ◽  
Phys Chem Chem Phys

The Outer Valence Green Function (OVGF) and coupled-cluster singles and doubles plus approximate triples, or CCSD(T), methods yield similar results for the vertical detachment energies of superhalides.

scholarly journals Correction: Thermodynamics, kinetics and electronic properties of point defects in β-FeSi2

2019 ◽  
Vol 21 (39) ◽  
pp. 22159-22159
Author(s):  
Jun Chai ◽  
Chen Ming ◽  
Xiaolong Du ◽  
Pengfei Qiu ◽  
Yi-Yang Sun ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Point Defects ◽  
Chem Phys ◽  
Phys Chem Chem Phys

Correction for ‘Thermodynamics, kinetics and electronic properties of point defects in β-FeSi2’ by Jun Chai et al., Phys. Chem. Chem. Phys., 2019, 21, 10497–10504.

Comment on “Revisiting π backbonding: the influence of d orbitals on metal–CO bonds and ligand red shifts” by D. Koch, Y. Chen, P. Golub and S. Manzhos, Phys. Chem. Chem. Phys., 2019, 21, 20814

2020 ◽  
Vol 22 (9) ◽  
pp. 5377-5379 ◽  
Author(s):  
Sudip Pan ◽  
Gernot Frenking
Keyword(s):  
Charge Transfer ◽  
Metal Carbonyl ◽  
Chem Phys ◽  
Carbonyl Complexes ◽  
Metal Carbonyl Complexes ◽  
D Orbitals ◽  
Phys Chem Chem Phys

We challenge the statement of Koch et al. that the M → CO charge transfer and the decrease of the CO stretching frequency in metal carbonyl complexes do not depend on the metal d orbitals.

scholarly journals Reply to the ‘Comment on “Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH3NH3PbI3”’ by J. Even et al., Phys. Chem. Chem. Phys., 2014, 10.1039/C3CP55006K

2014 ◽  
Vol 16 (18) ◽  
pp. 8699-8700 ◽  
Author(s):  
Yun Wang ◽  
Huijun Zhao
Keyword(s):  
Density Functional Theory ◽  
Solar Cells ◽  
Electronic Properties ◽  
Density Functional ◽  
Chem Phys ◽  
Theory Analysis ◽  
Functional Theory ◽  
Structural And Electronic Properties ◽  
Orthorhombic Perovskite ◽  
Phys Chem Chem Phys

Perovskite CH3NH3PbI3 materials were theoretically investigated using density functional theory (DFT) since they are an important component in novel perovskite-based solar cells.

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