Nonlinear optics of graphdiyne

Abstract

Graphdiyne (GDY), as a rising star of all-carbon materials, features high degree π-conjugation, uniformly distributed pores, and an intrinsic natural bandgap. These characteristics guarantee large optical refractive index, low saturation...

Advances in Self-Powered Ultraviolet Photodetectors Based on P-N Heterojunction Low-Dimensional Nanostructures

“…So far, researchers have made a lot of efforts and many gratifying developments have been acquired, but self-powered UV photodetectors with higher performance are still highly desired. On the one hand, exploring novel nanostructures that can promote the separation of photogenerated e-h pairs and be prepared by simple and stable methods may still be an important direction in the future; on the other hand, with the emergence of new high-performance semiconductor materials (such as graphdiyne [ 104 , 105 , 106 , 107 , 108 , 109 , 110 , 111 ], h-BN [ 112 , 113 , 114 , 115 , 116 ], perovskites [ 117 , 118 , 119 , 120 , 121 , 122 , 123 , 124 , 125 , 126 , 127 ], black phosphorus [ 128 , 129 , 130 , 131 , 132 , 133 , 134 , 135 ], and MoS 2 [ 136 , 137 , 138 , 139 , 140 , 141 , 142 , 143 , 144 ]), the situation of inorganic semiconductors as leading materials in self-powered photodetectors may be changed. In addition, inspired by the rise of wearable photodetectors in recent years, the new generation of photodetectors needs to be designed to be more dexterous and intelligent, which obviously puts forward new requir...…”

Influence of Alkali Metal Doping and BN Substitution on the Second-Order Nonlinear Optical Properties of Graphyne: A Theoretical Perspective

“…Furthermore, benefiting from their unique structure and fascinating physical and chemical properties, graphyne-based materials show promising application prospects in the fields of catalysts, hydrogen storage devices, solar cells, and optoelectronic devices. − Most intriguingly, two-dimensional graphdiynes are promising nonlinear optical (NLO) materials. The tunable direct band gap of GDY is about 0.46 eV, , which reveals its great potential in photonic fields. − In recent years, great efforts have been devoted to exploring the NLO properties of graphyne/graphdiyne-based compounds . Especially, the graphyne structure is very advisable for the design of novel NLO materials because it has a delocalized π-conjugated surface that can accommodate dopants to enhance the NLO response. − Li et al ,, introduced (super)­alkali metals into GDY, confirming that the (super)­alkali metal doping effect significantly improved the first hyperpolarizability (β 0 ) of GDY.…”

“…14−16 In recent years, great efforts have been devoted to exploring the NLO properties of graphyne/graphdiyne-based compounds. 17 Especially, the graphyne structure is very advisable for the design of novel NLO materials because it has a delocalized π-conjugated surface that can accommodate dopants to enhance the NLO response. 18−22 Li et al 18,19,23 introduced (super)alkali metals into GDY, confirming that the (super)alkali metal doping effect significantly improved the first hyperpolarizability (β 0 ) of GDY.…”

A theoretical comparison of the electrical and nonlinear optical properties ofGDY–π–TPA: The important role ofπ‐conjugated bridge

“…Its applications in various fields such as sensors, catalysis, energy storage and conversion, biomedicine, and optoelectronic devices, possess a strong attraction [32,33]. Significantly, graphdiyne-based molecules were predicted to be potentially excellent NLO materials [34][35][36][37][38][39]. According to the literature, alkali-doped GDY, superalkali Li 3 NM, M 3 O, M 3 S, M 2 X, and Na 2 Y (M = Li, Na, K, X = F, Cl, Br, and Y = SH, OCH 3 , SCH 3 , CN, N 3 ), and superalkaline-earth metal M 3 F (M = Li, Na, and K) decorated GDY surface exhibited significantly large first hyperpolarizabilities (β 0 ) [35,[39][40][41][42].…”