4.6 Article

Separation of Hydrogen Using a Size-Changeable Nanochannel

Journal

JOURNAL OF PHYSICAL CHEMISTRY C
Volume 115, Issue 11, Pages 4721-4725

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/jp1112944

Keywords

-

Funding

  1. Shanghai Education Committee, the National Science Foundation of China
  2. Research Grant Council of Hong Kong [402309]

Ask authors/readers for more resources

On the basis of a carbon nanotube intramolecular junction and a C-60, a molecular sieve for H-2 is proposed. The small interspace formed between C-60 and the junction provides a size changeable nanochannel for the permselectivity of H-2 while blocking Ne and Ar. The sieving mechanism is discussed in terms of soft repulsion of H-2 and the size of the nanochannel.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.6
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Physics, Multidisciplinary

Glass transition in disordered clusters

X. Y. Li, D. Y. Sun, X. G. Gong

PHYSICS LETTERS A (2019)

Article Multidisciplinary Sciences

A new strategy for directly calculating the minimum eigenvector of matrices without diagonalization

Wei Pan, Jing Wang, Deyan Sun

SCIENTIFIC REPORTS (2020)

Article Physics, Multidisciplinary

Establishing simple relationship between eigenvector and matrix elements

Wei Pan, Jing Wang, Deyan Sun

PHYSICS LETTERS A (2020)

Article Physics, Multidisciplinary

Nanocluster glass-formation: a potential energy landscape perspective

D. Y. Sun, X. G. Gong

NEW JOURNAL OF PHYSICS (2020)

Article Chemistry, Multidisciplinary

Stability of Two-Dimensional Ionic Clusters at Solid-Liquid Interfaces

Feng Liu, Di Zhao, Deyan Sun

Summary: Based on molecular dynamics simulations, it was found that two-dimensional clusters at the interface between ionic crystals and their solutions exhibit an odd-even alternation in stability, affecting the stability of water molecules and providing insights into the nucleation and crystallization of solutions on ionic crystal surfaces.

LANGMUIR (2021)

Article Materials Science, Multidisciplinary

A subtle structure evolution of metal-adsorbed water bilayer and the effect of dispersion correction

Di Zhao, Feng Liu, Xiang-Mei Duan, De-Yan Sun

Summary: The study shows that the first adsorbed water layer on Au, Pt, and Pd surfaces has a smooth potential energy landscape with subtle structural evolution related to the competition between water-water and water-metal interactions. Although differences may arise from dispersion correction and choice of exchange-correlation functional, the interesting feature of a smooth potential energy landscape remains unchanged.

COMPUTATIONAL MATERIALS SCIENCE (2021)

Article Chemistry, Multidisciplinary

Slowing Hot-Electron Relaxation in Mix-Phase Nanowires for Hot-Carrier Photovoltaics

Hailu Wang, Fang Wang, Tengfei Xu, Hui Xia, Runzhang Xie, Xiaohao Zhou, Xun Ge, Weiwei Liu, Yicheng Zhu, Liaoxin Sun, Jiaxiang Guo, Jiafu Ye, Muhammad Zubair, Man Luo, Chenhui Yu, Deyan Sun, Tianxin Li, Qiandong Zhuang, Lan Fu, Weida Hu, Wei Lu

Summary: The proposed method offers a feasible route to store and efficiently collect hot electrons by intentionally mixing different phases in III-V semiconductor nanowires, generating additional energy levels to capture and store hot electrons, while core/shell nanowires demonstrate superiority in extracting hot electrons.

NANO LETTERS (2021)

Article Materials Science, Multidisciplinary

Intrinsic disorder of dangling OH-bonds in the first water layer on noble metal surfaces

Di Zhao, Feng Liu, Xiangmei Duan, Deyan Sun

Summary: The study reveals that the orientation of dangling OH bonds in the first adsorbed water layer on noble metal surfaces plays a crucial role in adsorption stability. Specific distribution of these OH bonds is necessary for stability across various adsorption patterns. Additionally, the inplane arrangement of water molecules and the disorder in the orientation of dangling OH bonds contribute to a residual entropy in certain absorption structures, arising from competition between water-water and water-metal interactions.

COMPUTATIONAL MATERIALS SCIENCE (2022)

Article Multidisciplinary Sciences

Efficient world-line-based quantum Monte Carlo method without Hubbard-Stratonovich transformation

J. Wang, W. Pan, D. Y. Sun

Summary: In this paper, a new path integral formulation for quantum field theory is proposed and a corresponding Monte Carlo algorithm is developed. The computational efficiency is improved by eliminating the need for Hubbard-Stratonovich transformation and determinant calculation. The accuracy of Suzuki-Trotter decomposition is also enhanced.

SCIENTIFIC REPORTS (2022)

Article Physics, Fluids & Plasmas

Angell plot from the potential energy landscape perspective

D. M. Zhang, D. Y. Sun, X. G. Gong

Summary: By separating the barrier distribution in the potential energy landscape into Gaussian-like and power-law forms, researchers have found a general relationship between relaxation time and temperature, and discovered that glassy states only appear in a specific region of the landscape.

PHYSICAL REVIEW E (2022)

Article Materials Science, Multidisciplinary

Discovery of a paired Gaussian and long-tailed distribution of potential energies in nanoglasses

D. M. Zhang, D. Y. Sun, X. G. Gong

Summary: This article systematically investigates the dynamics behavior of nanoglasses and reveals the presence of structure transformation and metabasins below the glass transition temperature. The distribution of potential energies and alpha-relaxation time exhibits unique characteristics, indicating the intrinsic features of nanoglasses.

PHYSICAL REVIEW B (2022)

Article Materials Science, Multidisciplinary

Breathing mode of nanoclusters: Definition and comparison to a continuous medium model

B. Lan, D. Y. Sun

Summary: The study introduces a definition of breathing modes based on power spectra of geometric quantities, which can cover various breathing modes of nanoclusters; By applying group theory, normal-mode analysis, and molecular dynamics simulations, the characteristics of breathing modes of Aln clusters are explored; Results indicate that the definition not only includes common breathing modes but also reveals some hidden modes.

PHYSICAL REVIEW B (2021)

Article Chemistry, Physical

First-principles calculations of oxygen octahedral distortions in LaAlO3/SrTiO3(001) superlattices

L. Wang, W. Pan, D. Han, W. X. Hu, D. Y. Sun

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

Strain-induced indirect-to-direct bandgap transition in an np-type LaAlO3/SrTiO3(110) superlattice

L. Wang, W. Pan, W. X. Hu, D. Y. Sun

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)

No Data Available