scholarly journals A Universal Seeding Strategy to Synthesize Single Atom Catalysts on 2D Materials for Electrocatalytic Applications

2019 ◽  
Vol 30 (6) ◽  
pp. 1906157 ◽  
Author(s):  
Shiyong Zhao ◽  
Guangxu Chen ◽  
Guangmin Zhou ◽  
Li‐Chang Yin ◽  
Jean‐Pierre Veder ◽  
...  
Keyword(s):  
2D Materials ◽  
Single Atom ◽  
Seeding Strategy

First principles and machine learning based superior catalytic activities and selectivities for N2 reduction in MBenes, defective 2D materials and 2D π-conjugated polymer-supported single atom catalysts

2021 ◽  
Author(s):  
Mohammad Zafari ◽  
Arun S. Nissimagoudar ◽  
Muhammad Umer ◽  
Geunsik Lee ◽  
Kwang S. Kim
Keyword(s):  
Machine Learning ◽  
Nitrogen Fixation ◽  
First Principles ◽  
Conjugated Polymer ◽  
2D Materials ◽  
Single Atom ◽  
Vacancy Defects ◽  
Catalytic Activities ◽  
Polymer Supported ◽  
New Machine

The catalytic activity and selectivity can be improved for nitrogen fixation by using hollow sites and vacancy defects in 2D materials, while a new machine learning descriptor accelerates screening of efficient electrocatalysts.

scholarly journals DFT calculations of the structure and stability of copper clusters on MoS2

2020 ◽  
Vol 11 ◽  
pp. 391-406
Author(s):  
Cara-Lena Nies ◽  
Michael Nolan
Keyword(s):  
First Principles ◽  
Density Functional ◽  
Noble Metals ◽  
Semiconductor Device ◽  
2D Materials ◽  
Single Atom ◽  
Copper Binding ◽  
Adsorption Sites ◽  
Potential Applications ◽  
Low Dimensional

Layered materials, such as MoS2, are being intensely studied due to their interesting properties and wide variety of potential applications. These materials are also interesting as supports for low-dimensional metals for catalysis, while recent work has shown increased interest in using 2D materials in the electronics industry as a Cu diffusion barrier in semiconductor device interconnects. The interaction between different metal structures and MoS2 monolayers is therefore of significant importance and first-principles simulations can probe aspects of this interaction not easily accessible to experiment. Previous theoretical studies have focused particularly on the adsorption of a range of metallic elements, including first-row transition metals, as well as Ag and Au. However, most studies have examined single-atom adsorption or adsorbed nanoparticles of noble metals. This means there is a knowledge gap in terms of thin film nucleation on 2D materials. To begin addressing this issue, we present in this paper a first-principles density functional theory (DFT) study of the adsorption of small Cu n (n = 1–4) structures on 2D MoS2 as a model system. We find on a perfect MoS2 monolayer that a single Cu atom prefers an adsorption site above the Mo atom. With increasing nanocluster size the nanocluster binds more strongly when Cu atoms adsorb atop the S atoms. Stability is driven by the number of Cu–Cu interactions and the distance between adsorption sites, with no obvious preference towards 2D or 3D structures. The introduction of a single S vacancy in the monolayer enhances the copper binding energy, although some Cu n nanoclusters are actually unstable. The effect of the vacancy is localised around the vacancy site. Finally, on both the pristine and the defective MoS2 monolayer, the density-of-states analysis shows that the adsorption of Cu introduces new electronic states as a result of partial Cu oxidation, but the metallic character of Cu nanoclusters is preserved.

scholarly journals Electrical Property of Graphene and Its Application to Electrochemical Biosensing

Nanomaterials ◽  
2019 ◽  
Vol 9 (2) ◽  
pp. 297 ◽  
Author(s):  
Jin-Ho Lee ◽  
Soo-jeong Park ◽  
Jeong-Woo Choi
Keyword(s):  
Physicochemical Properties ◽  
Electrochemical Biosensor ◽  
2D Materials ◽  
High Surface ◽  
High Surface Area ◽  
Thick Layer ◽  
Single Atom ◽  
Synthesis Methods ◽  
Electrochemical Biosensing ◽  
Biomarker Analysis

Graphene, a single atom thick layer of two-dimensional closely packed honeycomb carbon lattice, and its derivatives have attracted much attention in the field of biomedical, due to its unique physicochemical properties. The valuable physicochemical properties, such as high surface area, excellent electrical conductivity, remarkable biocompatibility and ease of surface functionalization have shown great potentials in the applications of graphene-based bioelectronics devices, including electrochemical biosensors for biomarker analysis. In this review, we will provide a selective overview of recent advances on synthesis methods of graphene and its derivatives, as well as its application to electrochemical biosensor development. We believe the topics discussed here are useful, and able to provide a guideline in the development of novel graphene and on graphene-like 2-dimensional (2D) materials based biosensors in the future.

scholarly journals State of the Art in Alcohol Sensing with 2D Materials

2020 ◽  
Vol 12 (1) ◽  
Author(s):  
Ramin Boroujerdi ◽  
Amor Abdelkader ◽  
Richard Paul
Keyword(s):  
State Of The Art ◽  
2D Materials ◽  
Chemical Species ◽  
Weight Ratio ◽  
Layered Compounds ◽  
Single Atom ◽  
Future Research ◽  
Essential Factor ◽  
New Materials ◽  
Recent Developments

AbstractSince the discovery of graphene, the star among new materials, there has been a surge of attention focused on the monatomic and monomolecular sheets which can be obtained by exfoliation of layered compounds. Such materials are known as two-dimensional (2D) materials and offer enormous versatility and potential. The ultimate single atom, or molecule, thickness of the 2D materials sheets provides the highest surface to weight ratio of all the nanomaterials, which opens the door to the design of more sensitive and reliable chemical sensors. The variety of properties and the possibility of tuning the chemical and surface properties of the 2D materials increase their potential as selective sensors, targeting chemical species that were previously difficult to detect. The planar structure and the mechanical flexibility of the sheets allow new sensor designs and put 2D materials at the forefront of all the candidates for wearable applications. When developing sensors for alcohol, the response time is an essential factor for many industrial and forensic applications, particularly when it comes to hand-held devices. Here, we review recent developments in the applications of 2D materials in sensing alcohols along with a study on parameters that affect the sensing capabilities. The review also discusses the strategies used to develop the sensor along with their mechanisms of sensing and provides a critique of the current limitations of 2D materials-based alcohol sensors and an outlook for the future research required to overcome the challenges.

scholarly journals A Mini Review of the Preparation and Photocatalytic Properties of Two-Dimensional Materials

2020 ◽  
Vol 8 ◽  
Author(s):  
Shuhua Hao ◽  
Xinpei Zhao ◽  
Qiyang Cheng ◽  
Yupeng Xing ◽  
Wenxuan Ma ◽  
...  
Keyword(s):  
Active Sites ◽  
2D Materials ◽  
Chemical Properties ◽  
Metal Sulfide ◽  
Catalytic Performance ◽  
Theoretical Research ◽  
Single Atom ◽  
Preparation Methods ◽  
Two Dimensional Materials ◽  
Physical And Chemical

The successful preparation and application of graphene shows that it is feasible for the materials with a thickness of a single atom or few atomic layers to exist stably in nature. These materials can exhibit unusual physical and chemical properties due to their special dimension effects. At present, researchers have made great achievements in the preparation, characterization, modification, and theoretical research of 2D materials. Because the structure of 2D materials is often similar, it has a certain degree of qualitative versatility. Besides, 2D materials often carry good catalytic performance on account of their more active sites and adjustable harmonic electronic structure. In this review, taking 2D materials as examples [graphene, boron nitride (h-BN), transition metal sulfide and so on], we review the crystal structure and preparation methods of these materials in recent years, focus on their photocatalyst properties (carbon dioxide reduction and hydrogen production), and discuss their applications and development prospects in the future.

scholarly journals Single Atom Imaging and Spectroscopy of Impurities in 2D Materials

2016 ◽  
Vol 22 (S3) ◽  
pp. 862-863
Author(s):  
Wu Zhou ◽  
Andrew R. Lupini ◽  
Junhao Lin ◽  
Yongji Gong ◽  
Zheng Liu ◽  
...  
Keyword(s):  
2D Materials ◽  
Single Atom ◽  
Imaging And Spectroscopy

Recent Developments on the Single Atom Supported at 2D Materials Beyond Graphene as Catalysts

ACS Catalysis ◽  
2020 ◽  
Vol 10 (16) ◽  
pp. 9634-9648 ◽  
Author(s):  
Rui Gusmão ◽  
Martin Veselý ◽  
Zdeněk Sofer
Keyword(s):  
2D Materials ◽  
Single Atom ◽  
Recent Developments

scholarly journals Tunable Single-Atomic Charge/Spin States of Intercalant Co Ions in a Transition Metal Dichalcogenide

2021 ◽  
Author(s):  
Seongjoon Lim ◽  
Shangke Pan ◽  
Kefeng Wang ◽  
Alexey Ushakov ◽  
Ekaterina Sukhanova ◽  
...  
Keyword(s):  
Transition Metal ◽  
Scanning Probe Microscopy ◽  
Density Functional ◽  
2D Materials ◽  
Transition Metal Dichalcogenides ◽  
Atomic Charge ◽  
Single Atom ◽  
Transition Metal Dichalcogenide ◽  
Functional Theory ◽  
Metal Dichalcogenides

Abstract Intercalation raises manifold possibilities to manipulate the properties of two-dimensional (2D) materials1, and its impact on local electronic/magnetic properties has drawn much attention with the rise of nano-structured 2D materials2,3. Typically, changing an ionic state in a solid involves a dramatic local change of energy as well as orbital/spin magnetic moment from its ground state. However, the atomic investigation of the charging process of an intercalant ion in 2D material has never been explored while such subject has been studied in artificially deposited atoms on thin insulating 2D layers using scanning probe microscopy4–7. Herein, we demonstrate an atomical manipulation of the charge and spin state of Co ions on a metallic NbS2, obtained by cleaving of Co-intercalated NbS2. Density functional theory investigation of various Co configurations reveals that the charging is possible due to a change in the crystal field at the surface and a significant coupling between NbS2 and intercalants occurs via orbitals of the a1g symmetry. The results can be generalized to numerous other combinations of intercalants and base matrixes, suggesting that intercalated transition metal dichalcogenides can be a new platform to introduce single-atom operation 2D electronics/spintronics.

scholarly journals Controlled crack propagation for atomic precision handling of wafer-scale two-dimensional materials

Science ◽  
2018 ◽  
Vol 362 (6415) ◽  
pp. 665-670 ◽  
Author(s):  
Jaewoo Shim ◽  
Sang-Hoon Bae ◽  
Wei Kong ◽  
Doyoon Lee ◽  
Kuan Qiao ◽  
...  
Keyword(s):  
Field Effect Transistors ◽  
Hexagonal Boron Nitride ◽  
2D Materials ◽  
Electronic Conductivity ◽  
Single Atom ◽  
Adhesive Tape ◽  
Two Dimensional ◽  
Wafer Scale ◽  
Splitting Technique ◽  
Direct Growth

Although flakes of two-dimensional (2D) heterostructures at the micrometer scale can be formed with adhesive-tape exfoliation methods, isolation of 2D flakes into monolayers is extremely time consuming because it is a trial-and-error process. Controlling the number of 2D layers through direct growth also presents difficulty because of the high nucleation barrier on 2D materials. We demonstrate a layer-resolved 2D material splitting technique that permits high-throughput production of multiple monolayers of wafer-scale (5-centimeter diameter) 2D materials by splitting single stacks of thick 2D materials grown on a single wafer. Wafer-scale uniformity of hexagonal boron nitride, tungsten disulfide, tungsten diselenide, molybdenum disulfide, and molybdenum diselenide monolayers was verified by photoluminescence response and by substantial retention of electronic conductivity. We fabricated wafer-scale van der Waals heterostructures, including field-effect transistors, with single-atom thickness resolution.

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