Journal ArticleDOI
Special points for brillouin-zone integrations
Hendrik J. Monkhorst,J.D. Pack +1 more
TLDR
In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.Abstract:
A method is given for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector. The integration can be over the entire Brillouin zone or over specified portions thereof. This method also has applications in spectral and density-of-state calculations. The relationships to the Chadi-Cohen and Gilat-Raubenheimer methods are indicated.read more
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Journal ArticleDOI
Direct, Nonoxidative Conversion of Methane to Ethylene, Aromatics, and Hydrogen
Xiaoguang Guo,Fang Guangzong,Gang Li,Gang Li,Hao Ma,Hongjun Fan,Liang Yu,Chao Ma,Xing Wu,Dehui Deng,Mingming Wei,Dali Tan,Rui Si,Shuo Zhang,Jianqi Li,Litao Sun,Zichao Tang,Xiulian Pan,Xinhe Bao +18 more
TL;DR: It is reported that single iron sites embedded in a silica matrix enable direct, nonoxidative conversion of methane, exclusively to ethylene and aromatics, representing an atom-economical transformation process of methane.
Journal ArticleDOI
The Role of Surface Oxygen in the Growth of Large Single-Crystal Graphene on Copper
Yufeng Hao,M. S. Bharathi,Lei Wang,Yuanyue Liu,Hua Chen,Shu Nie,Xiaohan Wang,Harry Chou,Cheng Tan,Babak Fallahazad,H. Ramanarayan,Carl W. Magnuson,Emanuel Tutuc,Boris I. Yakobson,Kevin F. McCarty,Yong-Wei Zhang,Philip Kim,James Hone,Luigi Colombo,Rodney S. Ruoff +19 more
TL;DR: It was found that the presence of surface oxygen could limit the number of nucleation sites and allowed centimeter-scale domains to grow through a diffusion-limited mechanism, and the electrical conductivity of the graphene was comparable to that of exfoliated graphene.
Journal ArticleDOI
Triggering the electrocatalytic hydrogen evolution activity of the inert two-dimensional MoS2 surface via single-atom metal doping
Jiao Deng,Haobo Li,Jianping Xiao,Yunchuan Tu,Dehui Deng,Huaixin Yang,Huanfang Tian,Jianqi Li,Pengju Ren,Xinhe Bao +9 more
TL;DR: In this paper, a single Pt atom-doped, few-layer MoS2 nanosheets (Pt-MoS2) showed a significantly enhanced hydrogen evolution reaction (HER) activity compared with pure MOS2, originating from the tuned adsorption behavior of H atoms on the inplane S sites neighboring the doped Pt atoms.
Journal ArticleDOI
Metallic Ti3C2Tx MXene Gas Sensors with Ultrahigh Signal-to-Noise Ratio
Seon Joon Kim,Hyeong-Jun Koh,Chang E. Ren,Ohmin Kwon,Kathleen Maleski,Soo-Yeon Cho,Babak Anasori,Choong-Ki Kim,Yang-Kyu Choi,Jihan Kim,Yury Gogotsi,Hannes Jung +11 more
TL;DR: It is demonstrated that 2D metal carbide MXenes, which possess high metallic conductivity for low noise and a fully functionalized surface for a strong signal, greatly outperform the sensitivity of conventional semiconductor channel materials.
Journal ArticleDOI
Strain-engineered artificial atom as a broad-spectrum solar energy funnel
TL;DR: A highly strained ultrathin membrane of MoS2 could lead to the creation of a solar funnel, a new form of solar cell which absorbs a much broader range of the solar spectrum that a usual single junction device as discussed by the authors.
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