Simulating pH‐dependent surface‐enhanced Raman spectra by density functional theory calculations

Shi‐Qin Xiang; Li Zhang; Shu‐Ting Gao; Liu‐Bin Zhao

doi:10.1002/jrs.5613

Simulating pH‐dependent surface‐enhanced Raman spectra by density functional theory calculations

Journal of Raman Spectroscopy ◽

10.1002/jrs.5613 ◽

2019 ◽

Vol 50 (8) ◽

pp. 1065-1073 ◽

Cited By ~ 4

Author(s):

Shi‐Qin Xiang ◽

Li Zhang ◽

Shu‐Ting Gao ◽

Liu‐Bin Zhao

Keyword(s):

Density Functional Theory ◽

Raman Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Surface Enhanced ◽

Surface Enhanced Raman ◽

Ph Dependent

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Interaction of Melamine Molecules with Silver Nanoparticles Explored by Surface-Enhanced Raman Scattering and Density Functional Theory Calculations

Applied Spectroscopy ◽

10.1366/12-06838 ◽

2013 ◽

Vol 67 (5) ◽

pp. 491-497 ◽

Cited By ~ 11

Author(s):

Xue Chen ◽

Yongjun Hu ◽

Jiao Gao ◽

Yanjiao Zhang ◽

Shaoxin Li

Keyword(s):

Density Functional Theory ◽

Silver Nanoparticles ◽

Raman Scattering ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Surface Enhanced Raman Scattering ◽

Functional Theory ◽

Surface Enhanced ◽

Surface Enhanced Raman ◽

Enhanced Raman Scattering

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Raman, Infrared, and Surface-Enhanced Raman Spectroscopy in Combination with ab Initio and Density Functional Theory Calculations on 10-Isopropyl-10H-phenothiazine-5-oxide

The Journal of Physical Chemistry A ◽

10.1021/jp021731j ◽

2003 ◽

Vol 107 (11) ◽

pp. 1811-1818 ◽

Cited By ~ 35

Author(s):

M. Bolboaca ◽

T. Iliescu ◽

Cs. Paizs ◽

F. D. Irimie ◽

W. Kiefer

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Ab Initio ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Surface Enhanced Raman Spectroscopy ◽

Functional Theory ◽

Surface Enhanced ◽

Surface Enhanced Raman

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Surface-enhanced Raman scattering of 4,4′-bipyridine on silver by density functional theory calculations

Vibrational Spectroscopy ◽

10.1016/j.vibspec.2008.05.007 ◽

2009 ◽

Vol 49 (2) ◽

pp. 118-123 ◽

Cited By ~ 13

Author(s):

Zhiping Zhuang ◽

Weidong Ruan ◽

Nan Ji ◽

Xiaohong Shang ◽

Xu Wang ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Scattering ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Surface Enhanced Raman Scattering ◽

Functional Theory ◽

Surface Enhanced ◽

Surface Enhanced Raman ◽

Enhanced Raman Scattering

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Detection and classification of volatile fatty acids using surface‐enhanced Raman scattering and density functional theory calculations

Journal of Raman Spectroscopy ◽

10.1002/jrs.5737 ◽

2019 ◽

Vol 50 (12) ◽

pp. 1817-1828

Author(s):

Raju Botta ◽

Pongpan Chindaudon ◽

Pitak Eiamchai ◽

Mati Horprathum ◽

Saksorn Limwichean ◽

...

Keyword(s):

Density Functional Theory ◽

Fatty Acids ◽

Density Functional ◽

Volatile Fatty Acids ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Surface Enhanced ◽

Surface Enhanced Raman ◽

Enhanced Raman Scattering

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Direct visual evidence of end-on adsorption geometry of pyridine on silver surface investigated by surface enhanced Raman scattering and density functional theory calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.07.019 ◽

2015 ◽

Vol 151 ◽

pp. 888-894 ◽

Cited By ~ 2

Author(s):

Snehasis Bhunia ◽

Stefan Forster ◽

Nidhi Vyas ◽

Hans-Christian Schmitt ◽

Animesh K. Ojha

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Silver Surface ◽

Functional Theory ◽

Visual Evidence ◽

Surface Enhanced ◽

Surface Enhanced Raman ◽

Enhanced Raman Scattering ◽

Adsorption Geometry

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Adsorption of 6-mercaptopurine and 6-mercaptopurine-ribosideon silver colloid: A pH-dependent surface-enhanced Raman spectroscopy and density functional theory study. II. 6-mercaptopurine-riboside

Biopolymers ◽

10.1002/bip.20280 ◽

2005 ◽

Vol 78 (6) ◽

pp. 298-310 ◽

Cited By ~ 14

Author(s):

A. V. Szeghalmi ◽

L. Leopold ◽

S. Pînzaru ◽

V. Chis ◽

I. Silaghi-Dumitrescu ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Surface Enhanced Raman Spectroscopy ◽

Silver Colloid ◽

Density Functional Theory Study ◽

Functional Theory ◽

Surface Enhanced ◽

Surface Enhanced Raman ◽

Ph Dependent

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Adsorption of Ethanediamine on Colloidal Silver: A Surface-Enhanced Raman Spectroscopy Study Combined with Density Functional Theory Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp071066k ◽

2007 ◽

Vol 111 (30) ◽

pp. 11267-11274 ◽

Cited By ~ 27

Author(s):

Gengshen Hu ◽

Zhaochi Feng ◽

Jun Li ◽

Guoqing Jia ◽

Difei Han ◽

...

Keyword(s):

Density Functional Theory ◽

Raman Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Surface Enhanced Raman Spectroscopy ◽

Colloidal Silver ◽

Spectroscopy Study ◽

Functional Theory ◽

Surface Enhanced ◽

Surface Enhanced Raman

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Adsorption of benzoic acid, phthalic acid on gold substrates studied by surface-enhanced Raman scattering spectroscopy and density functional theory calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.11.103 ◽

2013 ◽

Vol 104 ◽

pp. 41-47 ◽

Cited By ~ 42

Author(s):

Jiao Gao ◽

Yongjun Hu ◽

Shaoxin Li ◽

Yanjiao Zhang ◽

Xue Chen

Keyword(s):

Density Functional Theory ◽

Phthalic Acid ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Raman Scattering Spectroscopy ◽

Gold Substrates ◽

Surface Enhanced ◽

Surface Enhanced Raman ◽

Enhanced Raman Scattering

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Plasmonically Generated Tryptophan Radical Anion on Gold Nanoparticles Investigated by Combined Surface-Enhanced Raman Scattering and Density Functional Theory Calculations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c07840 ◽

2021 ◽

Author(s):

Chelsea M. Zoltowski ◽

Rémy F. Lalisse ◽

Christopher M. Hadad ◽

Zachary D. Schultz

Keyword(s):

Density Functional Theory ◽

Gold Nanoparticles ◽

Raman Scattering ◽

Radical Anion ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Surface Enhanced ◽

Surface Enhanced Raman ◽

Enhanced Raman Scattering

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Adsorption Characteristics and Structure of 4,4'-Bis(mercaptomethyl)biphenyl on Silver by Surface-enhanced Raman Scattering and Density Functional Theory Calculations

Bulletin of the Korean Chemical Society ◽

10.5012/bkcs.2014.35.3.875 ◽

2014 ◽

Vol 35 (3) ◽

pp. 875-880 ◽

Cited By ~ 3

Author(s):

So Young Eom ◽

Yu Ran Lee ◽

Hong Lae Kim ◽

Chan Ho Kwon

Keyword(s):

Density Functional Theory ◽

Raman Scattering ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Surface Enhanced Raman Scattering ◽

Functional Theory ◽

Adsorption Characteristics ◽

Surface Enhanced ◽

Surface Enhanced Raman ◽

Enhanced Raman Scattering

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