Ab initio study of the electrochemical H2SO4/Pt(111) interface

Literature Information

Publication Date 2012-11-12
DOI 10.1039/C2CP43054A
Impact Factor 3.676
Authors

Aleix Comas-Vives, Jochen Bandlow, Timo Jacob


View Original

Abstract

The co-adsorption of H3O+ and/or H2O on SO42−/Pt(111) has been studied on the basis of DFT calculations. Several combinations of co-adsorbates have been considered in order to determine the most stable configuration. We find an adlayer of H3O+ coadsorbed with SO42−/Pt(111) having either none or one additional H2O molecule. When including the effects of an external electrode potential the nature of the adlayer is modified. This is also reflected in the behavior of the electrostatic potential normal to the surface, which should be directly comparable to future distance tunneling spectroscopy measurements.

Related Literature

Characterization and assembly investigation of a dodecapeptide hydrolyzed from the crystalline domain of Bombyx mori silk fibroin

Ruiwen Hao, Jinming Zhang, Tao Xu, Lei Huang, Jinrong Yao, Xin Chen, Zhengzhong Shao

2013-02-07 Paper

DOI: 10.1039/C3PY21096K

Thiourea-functionalized poly(phenyleneethynylene): fluorescent chemosensors for anions and cations

Xue Yong, Wen Wan, Mingjian Su, Wenwei You, Xinwei Lu, Yichen Yan, Jinqing Qu, Ruiyuan Liu, Toshio Masuda

2013-05-09 Paper

DOI: 10.1039/C3PY00359K

Synthesis and photovoltaic properties of copolymers based on benzo[1,2-b:4,5-b′]dithiophene and thiazole with different conjugated side groups

Xunshan Liu, Yuanshuai Huang, Zhencai Cao, Chao Weng, Huajie Chen, Songting Tan

2013-06-20 Paper

DOI: 10.1039/C3PY00614J

Nitrogen-rich diaminotriazine-based porous organic polymers for small gas storage and selective uptake

Wei-Chao Song, Xiao-Kang Xu, Qiang Chen, Zhan-Zhong Zhuang, Xian-He Bu

2013-06-13 Paper

DOI: 10.1039/C3PY00590A

A rapid and sensitive detection of ferritin at a nanomolar level and disruption of amyloid β fibrils using fluorescent conjugated polymer

B. Muthuraj, Sameer Hussain, Parameswar Krishnan Iyer

2013-06-27 Paper

DOI: 10.1039/C3PY00680H

π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization

Florian Schlütter, Tomohiko Nishiuchi, Volker Enkelmann, Klaus Müllen

2013-03-25 Communication

DOI: 10.1039/C3PY00166K

Benzodithiophene bridged dimeric perylene diimide amphiphiles as efficient solution-processed non-fullerene small molecules

Bo Jiang, Xin Zhang, Chuanlang Zhan, Zhenhuan Lu, Jianhua Huang, Xunlei Ding, Shenggui He, Jiannian Yao

2013-06-06 Paper

DOI: 10.1039/C3PY00457K

Selective CO2 capture in an imine linked porphyrin porous polymer

Venkata S. Pavan K. Neti, Xiaofei Wu, Shuguang Deng, Luis Echegoyen

2013-07-03 Communication

DOI: 10.1039/C3PY00798G

Back cover

Cover

DOI: 10.1039/C3PY90045B

You might also like

Compound Q&A

Is 6-(3-Fluorophenyl)picolinic acid (CAS: 887982-40-3) safe?

6-(3-Fluorophenyl)picolinic acid is generally considered safe for laboratory use...

887982-40-36-(3-Fluorophenyl)pi...
Compound Q&A

What industries use (3R)-3-Pyrrolidinol (CAS: 2799-21-5)?

(3R)-3-Pyrrolidinol is used in the pharmaceutical industry as a precursor for dr...

2799-21-5(3R)-3-Pyrrolidinol
Compound Q&A

What precautions should be taken when handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-8)?

When handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-...

59779-75-8(4R,5R)-4,5-Diethoxy...
Compound Q&A

How is 1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone (CAS: 90734-71-7) typically synthesized?

1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone is often synthesized via a mult...

90734-71-71-(6-Chloroimidazo[1...
Compound Q&A

What is the market or research trend for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1)?

The market for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1) remains steady,...

39180-83-1N-Ethyl-3,4-dimethyl...
Compound Q&A

What is Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate (CAS: 1019008-21-9)?

Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate is a chemical compound wit...

1019008-21-9Tert-butyl 3-(pyrrol...
Compound Q&A

What regulatory guidelines apply to 1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1)?

1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1) falls under the classi...

1228956-93-11-Bromo-3-chloro-2,4...
Compound Q&A

Is 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07-4) safe?

The safety of 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07...

1368622-07-48-Bromo-2-methyl-3,4...
Compound Q&A

Is Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate (CAS: 22785-43-9) safe?

Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate is generally safe when handled wi...

22785-43-9Benzyl [(3S)-2,6-dio...
Compound Q&A

How should 1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine (CAS: 928657-21-0) be stored?

1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine s...

928657-21-01-{[4-(4,4,5,5-Tetra...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.