Dependence of hot electron transfer on surface coverage and adsorbate species at semiconductor–molecule interfaces

Literature Information

Publication Date 2018-04-12
DOI 10.1039/C7CP07247C
Impact Factor 3.676
Authors

Lesheng Li, Yosuke Kanai


View Original

Abstract

Developing a molecular-level understanding of how a hot electron transfer process can be enhanced at semiconductor–molecule interfaces is central to advancing various future technologies. Using first-principles quantum dynamics simulations, we investigate how surface coverage and molecular adsorbate species influence the hot electron transfer at semiconductor–molecule interfaces. Counterintuitively, hot electron transfer from the semiconductor to molecules was found to be lessened with increased surface coverage because the inter-molecular interaction changes nonadiabatic couplings across the semiconductor and adsorbed molecules. The adsorbate molecular species itself was found to be an important factor in hot electron transfer not simply because of the energy level alignments at the interface, but also because the transfer is quite sensitive to nonadiabatic couplings. Our work shows that relatively minor variations of the couplings could lead to significant changes in hot electron transfer characteristics at semiconductor–molecule interfaces. Controlling nonadiabatic couplings must be part of developing a molecular-level “design principle” for enhancing hot electron transfer in addition to the well-recognized importance of energy level alignments.

Related Literature

C-Alkylation of N-alkylamides with styrenes in air and scale-up using a microwave flow reactor

Souma Tamaoki, Hiromichi Egami, Noriyuki Ohneda, Tadashi Okamoto, Hiromichi Odajima, Yoshitaka Hamashima

2018-09-29 Communication

DOI: 10.1039/C8OB02282H

Rhodium(iii)-catalyzed three-component cascade synthesis of 6H-benzo[c]chromenes through C–H activation

Wei Yang, Jingyi Wang, He Wang, Lei Li, Yuekai Guan, Xianxiu Xu, Dayu Yu

2018-09-13 Communication

DOI: 10.1039/C8OB01938J

Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis

Pei-Qian Wu, Yi-Fan Yu, Ye Zhao, Chun-Xue Yu, De-Juan Zhi, Feng-Ming Qi

2018-11-07 Paper

DOI: 10.1039/C8OB02319K

RNA-based boronate internucleosidic linkages: an entry into reversible templated ligation and loop formation

Alejandro Gimenez Molina, Ivan Barvik, Sabine Müller, Jean-Jacques Vasseur, Michael Smietana

2018-11-01 Paper

DOI: 10.1039/C8OB02182A

Porphyrin–ferrocene conjugates for photodynamic and chemodynamic therapy

Xiaoyu Zhang, Shi Liu, Zhigang Xie

2018-10-25 Paper

DOI: 10.1039/C8OB02391C

Sulfono-γ-AA modified peptides that inhibit HIV-1 fusion

Olapeju Bolarinwa, Meng Zhang, Erin Mulry, Min Lu, Jianfeng Cai

2018-10-11 Paper

DOI: 10.1039/C8OB02159G

Iodine-mediated regio- and stereoselective iodothiocyanation of alkynes in aqueous ethanol

Xianghua Zeng, Lu Chen

2018-09-27 Communication

DOI: 10.1039/C8OB02216J

You might also like

155412-88-71-(3-Aminophenyl)-3-...
Compound Q&A

How should waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 19132-12-8) be handled?

Waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 191...

19132-12-81-(D-Ribofuranosyl)-...
Compound Q&A

What regulatory guidelines apply to 2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 2007919-81-3)?

2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 20079...

2007919-81-32-Methyl-2-propanyl ...
Compound Q&A

What is N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0)?

N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0) is a chemical compound with...

245056-66-0N-(4-Chloro-2-pyridi...
Compound Q&A

What is 5-Chloro-2-hydroxybenzoic acid (CAS: 321-14-2)?

5-Chloro-2-hydroxybenzoic acid, also known as 5-chlorosalicylic acid, is an arom...

321-14-25-Chloro-2-hydroxybe...
Compound Q&A

What precautions should be taken when handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6)?

When handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6), it is important to u...

1717-00-61,1-Dichloro-1-fluor...
Compound Q&A

What are the physical and chemical properties of Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid (CAS: 281655-32-1)?

Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid is a white crystalline solid ...

281655-32-1Fmoc-(2S,3R)-3-pheny...
Compound Q&A

What are the main uses of 4-Amino-5-bromo-2-pyridinecarboxylic acid (CAS: 1363381-01-4)?

4-Amino-5-bromo-2-pyridinecarboxylic acid is primarily used as a precursor in th...

1363381-01-44-Amino-5-bromo-2-py...
1007881-98-2(S)-tert-butyl 2-((2...
Compound Q&A

What precautions should be taken when handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS: 688363-73-7)?

When handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one, use prop...

688363-73-78-bromo-2,2-dimethyl...

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.