Bandgap engineering of two-dimensional C3N bilayers

Wei, Wu; Yang, Siwei; Wang, Gang; Zhang, Teng; Pan, Wei; Cai, Zenghua; Yang, Yucheng; Zheng, Lirong; He, Peng; Wang, Lei; Baktash, Ardeshir; Zhang, Quanzhen; Liu, Liwei; Wang, Yeliang; Ding, Guqiao; Kang, Zhenhui; Yakobson, Boris I.; Searles, Debra J.; Yuan, Qinghong

doi:10.1038/s41928-021-00602-z

Cited by 46 publications

(25 citation statements)

References 58 publications

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“…Regarding other opportunities, sp 2 nanocarbon-based materials have been employed in various types of sensors [15] and nanoelectronic devices [16,17]. A very efficient tuning of the 2D nanocarbons' properties can be achieved by nitrogen substitution giving rise to a new family of carbon nitride networks [3,[18][19][20][21]. The resulting C 3 N x (X = 1-5) and C 2 N phases show promising photovoltaic, photocatalytic and even magnetic properties.…”

Section: Graphene and Nanodiamond-the Opposite Limits Of Carbon At The Nanoscalementioning

confidence: 99%

Mixed sp2–sp3 Nanocarbon Materials: A Status Quo Review

Vejpravová

2021

Nanomaterials

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Carbon nanomaterials with a different character of the chemical bond—graphene (sp2) and nanodiamond (sp3)—are the building bricks for a new class of all-carbon hybrid nanomaterials, where the two different carbon networks with sp3 and sp2 hybridization coexist, interacting and even transforming into one another. The extraordinary physiochemical properties defined by the unique electronic band structure of the two border nanoallotropes ensure the immense application potential and versatility of these all-carbon nanomaterials. The review summarizes the status quo of sp2 – sp3 nanomaterials, including graphene/graphene-oxide—nanodiamond composites and hybrids, graphene/graphene-oxide—diamond heterojunctions, and other sp2–sp3 nanocarbon hybrids for sensing, electronic, and other emergent applications. Novel sp2–sp3 transitional nanocarbon phases and architectures are also discussed. Furthermore, the two-way sp2 (graphene) to sp3 (diamond surface and nanodiamond) transformations at the nanoscale, essential for innovative fabrication, and stability and chemical reactivity assessment are discussed based on extensive theoretical, computational and experimental studies.

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Section: Graphene and Nanodiamond-the Opposite Limits Of Carbon At The Nanoscalementioning

confidence: 99%

Mixed sp2–sp3 Nanocarbon Materials: A Status Quo Review

Vejpravová

2021

Nanomaterials

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“…The widely tunable bandgap gives rise to functional electronic devices like field effect transistors (FETs) , and facilitates ultrasensitive detection of the light ranging from visible to near-infrared. − Beyond single materials, many van der Waals (vdW) heterostructures integrating various materials have been successfully constructed by means of vdW stacking or chemical synthesis, − as ultraclean surfaces and edges are readily available with 2D materials . In order to accomplish tailored functions and working mechanisms, the heterostructure devices have to be rationally designed based on band engineering. − Accordingly, it is worth exploiting more candidate materials with distinctive band structures.…”

mentioning

confidence: 99%

Switchable Photoresponse Mechanisms Implemented in Single van der Waals Semiconductor/Metal Heterostructure

Cui

Yoon

et al. 2022

ACS Nano

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van der Waals (vdW) heterostructures based on twodimensional (2D) semiconducting materials have been extensively studied for functional applications, and most of the reported devices work with sole mechanism. The emerging metallic 2D materials provide us new options for building functional vdW heterostructures via rational band engineering design. Here, we investigate the vdW semiconductor/metal heterostructure built with 2D semiconducting InSe and metallic 1T-phase NbTe 2 , whose electron affinity χ InSe and work function Φ NbTe 2 almost exactly align. Electrical characterization verifies exceptional diode-like rectification ratio of >10 3 for the InSe/NbTe 2 heterostructure device. Further photocurrent mappings reveal the switchable photoresponse mechanisms of this heterostructure or, in other words, the alternative roles that metallic NbTe 2 plays. Specifically, this heterostructure device works in a photovoltaic manner under reverse bias, whereas it turns to phototransistor with InSe channel and NbTe 2 electrode under high forward bias. The switchable photoresponse mechanisms originate from the band alignment at the interface, where the band bending could be readily adjusted by the bias voltage. In addition, a conceptual optoelectronic logic gate is proposed based on the exclusive working mechanisms. Finally, the photodetection performance of this heterostructure is represented by an ultrahigh responsivity of ∼84 A/W to 532 nm laser. Our results demonstrate the valuable application of 2D metals in functional devices, as well as the potential of implementing photovoltaic device and phototransistor with single vdW heterostructure.

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“…C 7 N, C 6 N 2 , and C 4 N 4 , which have higher C/N ratios, have lower formation energies and are relatively stable. Many previous studies have also investigated more thermodynamically stable configurations with different C/N ratios, such as C 1−x N x (0 < x < 1), 40 C 3 N, 41 and so forth. The carbon−nitrogen materials with stable configurations all have a high C/N ratio, which is consistent with our research results.…”

Section: Resultsmentioning

confidence: 99%

Design of Novel Transition-Metal-Doped C₆N₂ with High-Efficiency Polysulfide Anchoring and Catalytic Performances toward Application in Lithium–Sulfur Batteries

Liang

Zhang

2022

ACS Appl. Mater. Interfaces

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Lithium−sulfur (Li−S) batteries are highly expected because of their high theoretical specific capacity and energy density. However, its application still faces challenges, including the shuttle effect affecting the sulfur reduction reaction, the high decomposition energy barrier of Li 2 S during charging, the volume change of sulfur, and the poor conductivity during charging and discharging. Here, combined with density functional theory and particle swarm optimization algorithm for the nitrogen carbide monolayer structural search (C m N 8−m , m = 1−8), the surprising discovery is that a single metal-atom-doped C 6 N 2 monolayer could effectively accelerate the conversion of lithium polysulfide and anchor lithium polysulfide during discharging and decrease the decomposition energy barrier of Li 2 S during charging. This "anchoring and catalyzing" mechanism effectively reduces the shuttle effect and greatly improves the reaction kinetics. Among a series of metal atoms, Cr is the best doping element, and it exhibits suitable adsorption energy for polysulfides and the lowest decomposition energy barrier for Li 2 S. This work opens up a new way for the development of transition-metal-doped carbon−nitrogen materials with an excellent catalytic activity for lithium polysulfide as cathode materials for Li−S batteries.

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Bandgap engineering of two-dimensional C3N bilayers

Cited by 46 publications

References 58 publications

Mixed sp2–sp3 Nanocarbon Materials: A Status Quo Review

Mixed sp2–sp3 Nanocarbon Materials: A Status Quo Review

Switchable Photoresponse Mechanisms Implemented in Single van der Waals Semiconductor/Metal Heterostructure

Design of Novel Transition-Metal-Doped C₆N₂ with High-Efficiency Polysulfide Anchoring and Catalytic Performances toward Application in Lithium–Sulfur Batteries

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Bandgap engineering of two-dimensional C3N bilayers

Cited by 46 publications

References 58 publications

Mixed sp2–sp3 Nanocarbon Materials: A Status Quo Review

Mixed sp2–sp3 Nanocarbon Materials: A Status Quo Review

Switchable Photoresponse Mechanisms Implemented in Single van der Waals Semiconductor/Metal Heterostructure

Design of Novel Transition-Metal-Doped C6N2 with High-Efficiency Polysulfide Anchoring and Catalytic Performances toward Application in Lithium–Sulfur Batteries

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Design of Novel Transition-Metal-Doped C₆N₂ with High-Efficiency Polysulfide Anchoring and Catalytic Performances toward Application in Lithium–Sulfur Batteries