Investigation on field-emission properties of graphdiyne–ZnO composite

Graphdiyne–ZnO composite is constructed to investigate field-emission. We hope the tip effect of graphdiyne can be strengthened by doping ZnO. We find that the effective movement of the Fermi level and the dwindling of band gap have contributed to the modification of the electronic structures of this composite significantly with increase in the electric field. The high binding energy indicates that the composite model is very stable. In addition, the ionization energies and work functions decrease linearly with the increasing electric field, which represents an improvement of field-emission properties. It implies that graphdiyne–ZnO composite may become a promising material for field-emission.

[1]  Mengyan Shen,et al.  Optically pumped lasing of ZnO at room temperature , 1991 .

[2]  Tae Jae Lee,et al.  Field emission from well-aligned zinc oxide nanowires grown at low temperature , 2002 .

[3]  Wensheng Yang,et al.  Controlling the Interface Areas of Organic/Inorganic Semiconductor Heterojunction Nanowires for High-Performance Diodes. , 2016, ACS applied materials & interfaces.

[4]  Andre K. Geim,et al.  Electric Field Effect in Atomically Thin Carbon Films , 2004, Science.

[5]  I. Lin,et al.  Characterization and Field‐Emission Properties of Needle‐like Zinc Oxide Nanowires Grown Vertically on Conductive Zinc Oxide Films , 2003 .

[6]  Yunqing Tang,et al.  Investigation on field emission properties of graphdiyne–BN composite , 2014 .

[7]  S. C. O'brien,et al.  C60: Buckminsterfullerene , 1985, Nature.

[8]  Alexandre Mayer,et al.  Theoretical comparison between field emission from single-wall and multi-wall carbon nanotubes , 2002 .

[9]  A. Maiti,et al.  Effect of adsorbates on field emission from carbon nanotubes. , 2001, Physical review letters.

[10]  B. Delley.  An all‐electron numerical method for solving the local density functional for polyatomic molecules , 1990 .

[11]  Daoben Zhu,et al.  Architecture of graphdiyne nanoscale films. , 2010, Chemical communications.

[12]  Huibiao Liu,et al.  Graphdiyne and graphyne: from theoretical predictions to practical construction. , 2014, Chemical Society reviews.

[13]  Nan Chen,et al.  Construction of Tubular Molecule Aggregations of Graphdiyne for Highly Efficient Field Emission , 2011 .

[14]  C. Hsin,et al.  Well-aligned ZnO nanowires with excellent field emission and photocatalytic properties. , 2012, Nanoscale.

[15]  B. Akdim,et al.  The effects of O2 adsorbates on field emission properties of single-wall carbon nanotubes: A density functional theory study , 2003 .

[16]  Koji Yano,et al.  Growth of p-type Zinc Oxide Films by Chemical Vapor Deposition , 1997 .

[17]  David P. Norton,et al.  Depletion-mode ZnO nanowire field-effect transistor , 2004 .

[18]  Z. Zuo,et al.  Synthesis and Properties of 2D Carbon-Graphdiyne. , 2017, Accounts of chemical research.

[19]  Shiping Huang,et al.  First-Principles Study of Field Emission Properties of Graphene-ZnO Nanocomposite , 2010 .

[20]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[21]  Richard G. Forbes,et al.  Low-macroscopic-field electron emission from carbon films and other electrically nanostructured heterogeneous materials: hypotheses about emission mechanism ☆ , 2001 .

[22]  Masashi Kawasaki,et al.  Room-temperature ultraviolet laser emission from self-assembled ZnO microcrystallite thin films , 1998 .

[23]  A. Modinos.  Field Emission from Surface States in Semiconductors , 1974 .

[24]  Haiying Yang,et al.  Investigation on field emission properties of N-doped graphene-carbon nanotube composites , 2015 .

[25]  Akira Ohtomo,et al.  Radiative and nonradiative recombination processes in lattice-matched (Cd,Zn)O/(Mg,Zn)O multiquantum wells , 2000 .

[26]  S. Iijima.  Helical microtubules of graphitic carbon , 1991, Nature.

[27]  N. Xu,et al.  Chiral and quantum size effects of single-wall carbon nanotubes on field emission , 2004 .

[28]  R. Service.  Will UV Lasers Beat the Blues? , 1997, Science.

[29]  Changwook Kim,et al.  Effect of electric field on the electronic structures of carbon nanotubes , 2001 .