Fig 1

Structure of graphdiyne."

Fig 2

Precursor structures of graphdiyne derivatives 36, 43–62."

Fig 3

Synthetic routes to graphdiyne derivatives: Glaser coupling (a), Glaser-Hay coupling (b) and Eglinton coupling (c) 12, 63, 66, 67. (a) Adapted from Ref. 63, Open-access; Adapted with permission from Ref. 66, Copyright 2019 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim publisher; (b) Adapted from Ref. 63, Open-access; Adapted with permission from Ref. 12, Copyright 2019, John Wiley and Sons publisher. (c) Adapted from Ref. 63, Open-access; Adapted with permission from Ref. 67, Copyright 1992 by VCH Verlagsgesellschaft mbH, Germany publisher."

Table 1

Structures, preparations and performances of GDY and graphdiyne derivatives 1, 2, 36, 43, 49-56, 58, 60, 62."

Number	Sample	Precursor	Structure	Preparation	Application	Performance
1	GDY 1, 2			Glaser coupling	Energy conversion and storage, optoelectronic devices, catalysis, etc. 3–29	LIBs: With a reversible capacity of 552 mAh?g?1 at a current density of 50 mA?g?1 after performing 200 cycles
2	TZ-GDY 56			Glaser coupling (copper substrate)	–	–
3	Ben-GDY 36			Glaser coupling (copper substrate)	–	–
4	TPE-GDY 49, 50			Glaser coupling (copper substrate)	Nonlinear optics (NLO)	Show clear chirality in the ultraviolet band and exhibit a good nonlinear frequency doubling response
5	TTF-GDY 51			Glaser coupling (without substrate)	Electrode materials of LIBs	With a reversible capacity of 837.6 mAh?g?1
6	SBFCY-NS 52			Glaser coupling (without substrate)	Electrode materials of LIBs, and SIBs	LIBs: With a capacity of 1050 mAh?g?1 at a current density of 50 mA?g?1; SIBs: With a capacity of 130 mAh?g?1 at a current density of 5 A g?1 after 3000 circles
7	BBT-GDY 43			Glaser-Hay coupling (copper substrate)	–	Show semiconductor characteristics with a bandgap of 2.38 eV, and conductivity of 2 × 10?3 S·m?1 (r.t.)
8	CoPor-GDY 54			Glaser-Hay coupling (copper substrate)	–	The overpotential of HER was 308 mV at 10 mA?cm?2 and the Tafel slope was 68 mV?dec?1; the overpotential of OER was 400 mV at 10 mA?cm?2 and the Tafel slope was 129 mV?dec?1.
9	PQ-GDY 53			Glaser-Hay coupling (copper substrate)	Electrode materials of LIBs	With a reversible capacity of 570.0 mAh?g?1 after performing 800 cycles at a current density of 200 mA?g?1
10	TP-GDY 55			Glaser-Hay coupling (without substrate)	–	After modification: freestanding morphology, smooth texture, domain size > 1 mm, thickness 220 nm
11	COP-GY 62			Sonogashira coupling (melamine sponge or cotton fabric substrate, etc.)	Conductive and superhydrophobic materials for oil-water separation, biosensing, etc.	Cotton fabrics with COP-GY showed oil-water separation efficiency of 95.5%; COP-GY in melamine sponge showed superhydrophobicity with a contact angle of 154°.
12	Ag-TET 60			Glaser coupling (Ag substrate)	–	–
13	HgL1 58			Glaser coupling (glass slide, silicon wafer or quartz substrate)	Passively Q-switched (PQS)	With stable and perfect broadband nonlinear saturable absorption (SA) properties at both 532 and 1064 nm
14	HgL2 58			Glaser coupling (glass slide, silicon wafer or quartz substrate)	Passively Q-switched (PQS)	With stable and perfect broadband nonlinear saturable absorption (SA) properties at both 532 and 1064 nm

Fig 4

Structures and synthetic route to TZ-GDY (a) and Ben-GDY (b) 36, 56. (a) Adapted from Ref. 56, Open-access; (b) Adapted with permission from Ref. 36, Copyright 2019 American Chemical Society publisher."

Fig 5

Solid–liquid interfacial synthesis of TPE-GDY (a) and liquid/liquid interfacial synthesis of TTF-GDY (b) 49, 51. (a) Adapted with permission from Ref. 49, Copyright 2003, John Wiley and Sons publisher; (b) Adapted with permission from Ref. 51, Copyright 2019 American Chemical Society publisher."

Fig 6

Structures of B-GDY (a), BBT-GDY (b), C-DY (c), Por-GDY (d) and synthetic route to CoPor-GDY (e) 43, 44, 47, 54. (a) Adapted with permission from Ref. 47, Copyright 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim publisher; (b) Adapted from Ref. 43, IOP Publishing publisher; (c) Adapted with permission from Ref. 44, Copyright 2018 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim publisher; (d, e) Adapted from Ref. 54, Open-access."

Fig 7

Liquid/liquid interfacial synthesis and structure of TP-GDY 55. Adapted with permission from Ref. 55, Copyright 2019 American Chemical Society publisher."

Fig 8

Structures of PQ-GDY (a, b) and synthetic routes to COP-GY (c) 53, 62. Adapted with permission from Ref. 53, Copyright 2020 American Chemical Society publisher."

Fig 9

Structures of Ag-Ben-GDY (b) and Ag-TET (c) and synthetic routes to Ag-Ben-GDY (a), HgL1 (d) and HgL2 (e) 58–61. (a, b) Adapted with permission from Ref. 61, Copyright 2019 American Chemical Society; (c) Adapted from Ref. 60, Open-access; (d, e) Adapted with permission from Ref. 58, Copyright 2021 Wiley-VCH GmbH; (e) Adapted with permission from Ref. 59, Copyright 2016 American Chemical Society."

Fig 10

3D porous skeletons of Si-DY (a) and Ge-DY (b) 45, 46. (a) Adapted with permission from Ref. 45, Copyright 2021 Wiley-VCH GmbH; (b) Adapted with permission from Ref. 46, Copyright 2022, John Wiley and Sons."

Fig 11

Synthetic procedure and morphology of SBFCY-NS 52. Adapted with permission from Ref. 52, Copyright 2021 Wiley-VCH GmbH publisher."

Fig 12

Electrochemical performance of C-DY、Si-DY and Ge-DY based anodes for Li ion storage 44–46. (a) Cycling performance of C-DY based electrodes for LIBs at 200 mA∙g?1. (b, c) Cycling performance of Si-DY, Ge-DY based electrodes for LIBs at 50 mA∙g?1. (d, e) Cycling performance of Si-DY、Ge-DY based electrodes for LIBs at 5000 mA∙g?1. (f–h) Rate performance of C-DY, Si-DY, Ge-DY based electrodes for LIBs. (a) Adapted with permission from Ref. 44, Copyright 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim; (b, d, e) Adapted with permission from Ref. 45, Copyright 2021 Wiley-VCH GmbH; (c, f, g) Adapted with permission from Ref. 46, Copyright 2022 John Wiley and Sons."

Fig 13

Electrochemical performance of TTF-GDY and PQ-GDY in Li ion storage 51, 53. (a) Rate performance of TTF-GDY based electrodes for LIBs. (b) Cycling performance of TTF-GDY based electrodes for LIBs at 0.5 A∙g?1. (c) Rate performance of PQ-GDY based electrodes for LIBs. (d) Cycling performance of PQ-GDY based electrodes for LIBs between 5 mV and 3 V. (a, b) Adapted with permission from Ref. 51, Copyright 2019 American Chemical Society; (c, d) Adapted with permission from Ref. 53, Copyright 2020 American Chemical Society."

Fig 14

Lithium and sodium storage performance of SBFCY-NS 52. (a) Cycling performance at 0.05 A∙g?1 for LIBs. (b) Cycling performance at 5 A∙g?1 for SIBs. (c) Cycling performance at 5 A∙g?1 for LIBs. (b) Rate performance at increasing current density for LIBs. (e) Rate performance at increasing current density for SIBs. Adapted with permission from Ref. 52, Copyright 2021 Wiley-VCH GmbH."

Fig 15

The electrocatalytic performances of CoPor-GDY and Por-GDY in HER and OER 54. (a) HER LSV curves. (b) Tafel plots of HER. (c) Comparison of the HER performances of CoPor-GDY with the reported catalysts. (d) OER LSV curves. (e) Tafel plots of OER. (f) Comparison of the OER performances of CoPor-GDY with the reported catalysts. Adapted from Ref. 54, Open-access."