English
 
User Manual Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Ab initio simulation of laser-induced water decomposition close to carbon nanotubes

Miyamoto, Y., Zhang, H., Cheng, X., & Rubio, A. (2019). Ab initio simulation of laser-induced water decomposition close to carbon nanotubes. Physical Review B, 99(16): 165424. doi:10.1103/PhysRevB.99.165424.

Item is

Basic

show hide
Item Permalink: http://hdl.handle.net/21.11116/0000-0003-7EEE-5 Version Permalink: http://hdl.handle.net/21.11116/0000-0003-A4A1-D
Genre: Journal Article

Files

show Files
hide Files
:
PhysRevB.99.165424.pdf (Publisher version), 2MB
 
File Permalink:
-
Name:
PhysRevB.99.165424.pdf
Description:
-
Visibility:
Private
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
-
Copyright Info:
-
License:
-
:
LW15572-PRL-SupplementalMaterial_r1.pdf (Supplementary material), 36KB
 
File Permalink:
-
Name:
LW15572-PRL-SupplementalMaterial_r1.pdf
Description:
-
Visibility:
Private
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
-
Copyright Info:
-
License:
-
:
1903.11831.pdf (Preprint), 410KB
Name:
1903.11831.pdf
Description:
Downloaded from arxiv.org: 2019-05-22
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
Technical Metadata:
Copyright Date:
2019
Copyright Info:
© the Author(s)

Locators

show
hide
Locator:
https://dx.doi.org/10.1103/PhysRevB.99.165424 (Publisher version)
Description:
-
Locator:
https://arxiv.org/abs/1903.11831 (Preprint)
Description:
-

Creators

show
hide
 Creators:
Miyamoto, Y.1, Author
Zhang, H.2, Author
Cheng, X.3, Author
Rubio, A.4, 5, 6, Author              
Affiliations:
1Research Center for Computational Design of Advanced Functional Materials, National Institute of Advanced Industrial Science and Technology (AIST), ou_persistent22              
2College of Physical Science and Technology, Sichuan University, ou_persistent22              
3Institute of Atomic and Molecular Physics, Sichuan University, ou_persistent22              
4Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
5Nano-Bio Spectroscopy Group and ETSF, Universidad del País Vasco, ou_persistent22              
6Center for Computational Quantum Physics, Flatiron Institute, ou_persistent22              

Content

show
hide
Free keywords: -
 Abstract: First-principles simulations were used to investigate water (H2O) decomposition induced by a femtosecond laser with high flux ∼1×1020photons/(seccm2). One goal of our research is to find metamaterials that locally enhance the laser field to reduce the threshold laser intensity required to decompose H2O molecules. In this work, small-diameter (6.3 Å) single-walled carbon nanotubes were found to reduce the threshold power by 90% compared with the power required to decompose H2O in the gas phase. The present results suggest a strategy for the design of materials with high energy efficiency for H2O decomposition based on polarizability and morphology (curvature) to enhance the local field. We demonstrate that carbon nanotubes enhance the local field resulting in a power enhancement of approximately eight times.

Details

show
hide
Language(s): eng - English
 Dates: 2018-09-072019-04-152019-04-22
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1103/PhysRevB.99.165424
arXiv: 1903.11831
 Degree: -

Event

show

Legal Case

show

Project information

show hide
Project name : Calculations were performed on the supercomputing system at the Cyberscience Center of Tohoku University. Y.M. acknowledges funding from JSPS KAKENHI (Grants No. JP16H00925, No. JP16H04103, No. JP16K05412, and No. JP16K05049). Y.M. also acknowledges a suggestion from H. Ohmura regarding currently available fs laser technology. H.Z. acknowledges financial support from the National Key R&D Program of China (Grant No. 2017YFA0303600) and the National Natural Science Foundation of China (Grant No. 11474207). X.C. acknowledges financial support from the National Natural Science Foundation of China (Grant No. 11774248). A.R. acknowledges financial support from the JSPS Fellowship program, the European Research Council (Grant No. QSpec-NewMat ERC-2015-AdG-694097), and Grupos Consolidados (Grant No. IT578-13).
Grant ID : -
Funding program : -
Funding organization : -

Source 1

show
hide
Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 99 (16) Sequence Number: 165424 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008