scispace - formally typeset
Search or ask a question
Author

Miao Zhou

Bio: Miao Zhou is an academic researcher from Chongqing University. The author has contributed to research in topics: Perovskite (structure) & Band gap. The author has an hindex of 36, co-authored 106 publications receiving 4230 citations. Previous affiliations of Miao Zhou include National University of Singapore & Tianjin Urban Construction Institute.


Papers
More filters
Journal ArticleDOI
TL;DR: In this article, the catalytic activity of Au-embedded graphene is investigated by the first-principle method using the CO oxidation as a benchmark probe, and it is shown that the partially filled d states of Au are localized around the Fermi level due to the interactions between Au and the neighboring carbon atoms.
Abstract: The catalytic activity of Au-embedded graphene is investigated by the first-principle method using the CO oxidation as a benchmark probe. The first step of CO oxidation catalyzed by the Au-embedded graphene is most likely to proceed with the Langmuir−Hinshelwood reaction (CO + O2 → OOCO → CO2 +O), and the energy barrier is as low as 0.31 eV. The second step of the oxidation would be the Eley−Rideal reaction (CO + O → CO2) with a much smaller energy barrier (0.18 eV). The partially filled d states of Au are localized around the Fermi level due to the interactions between Au and the neighboring carbon atoms. The high activity of Au-embedded graphene may be attributed to the electronic resonance among electronic states of CO, O2, and the Au atom, particularly, among the d states of the Au atom and the antibonding 2π* states of CO and O2. This opens a new avenue to fabricate low cost and high activity carbon-based catalyst.

394 citations

Journal ArticleDOI
TL;DR: In this paper, a CdSe quantum dot/PCBM composite was used as an electron transport layer (ETL) to investigate the structure, stability and power conversion efficiency of CH3NH3PbI3−xClx perovskite solar cells.
Abstract: Organic–inorganic hybrid perovskites have recently attracted considerable interest for application in solar cells due to their low cost, high absorption coefficient and high power conversion efficiency (PCE). Herein, we utilize a CdSe quantum dot/PCBM composite as an electron transport layer (ETL) to investigate the structure, stability and PCE of CH3NH3PbI3−xClx perovskite solar cells. It is found that adsorption of the CdSe/PCBM composite reduces the roughness of the perovskite, leading to a high-quality film with a compact morphology. Density functional theory (DFT) based first-principles calculations show that CdSe enhances the chemical stability of CH3NH3PbI3−xClx involving strong atomic orbital hybridization. Interestingly, an inorganic-terminated perovskite surface has much stronger interaction with CdSe compared to the surface with organic CH3NH3 termination, with noticeable interfacial charge redistribution. Experiments on solar cells incorporating the CdSe/PCBM composite as the ETL show enhanced photocurrent and fill factor, which is related to the in-built electric field between CH3NH3PbI3−xClx and CdSe that greatly facilitates the separation of electron and hole pairs. We show an improved PCE of 13.7% with enhanced device stability in a highly humid atmosphere. These joint theoretical–experimental results may provide a new aspect for improving the structural stability and operating performance of optoelectronic devices based on perovskite structures.

295 citations

Journal ArticleDOI
TL;DR: It is found that embedded transitionMetal elements in general can significantly enhance the interactions between gas molecules and graphene, and for applications of graphene-based catalysis, Ti and Au may be the best choices among all transition metal elements.
Abstract: We report an investigation on the adsorption of small gas molecules (O(2), CO, NO(2) and NH(3)) on pristine and various transition metal embedded graphene samples using a first-principles approach based on density-functional theory (DFT). The most stable adsorption geometry, energy, charge transfer, and magnetic moment of these molecules on graphene embedded with different transition metal elements are thoroughly discussed. Our calculations found that embedded transition metal elements in general can significantly enhance the interactions between gas molecules and graphene, and for applications of graphene-based catalysis, Ti and Au may be the best choices among all transition metal elements. We also expect a detailed analysis of the electronic structures and magnetic properties of these systems to shed light on future applications of graphene-based gas sensing and spintronics.

287 citations

Journal ArticleDOI
TL;DR: This work demonstrates epitaxial growth of 2D topological insulator, i.e., quantum spin Hall state, on Si(111) surface with a large energy gap, based on first-principles calculations and reveals a new formation mechanism of large-gap QSH insulator.
Abstract: Formation of topological quantum phase on a conventional semiconductor surface is of both scientific and technological interest. Here, we demonstrate epitaxial growth of 2D topological insulator, i.e., quantum spin Hall state, on Si(111) surface with a large energy gap, based on first-principles calculations. We show that the Si(111) surface functionalized with one-third monolayer of halogen atoms [Si(111)-√3 x √3 -X (X = Cl, Br, I)] exhibiting a trigonal superstructure provides an ideal template for epitaxial growth of heavy metals, such as Bi, which self-assemble into a hexagonal lattice with high kinetic and thermodynamic stability. Most remarkably, the Bi overlayer is atomically bonded to but electronically decoupled from the underlying Si substrate, exhibiting isolated quantum spin Hall state with an energy gap as large as ∼ 0.8 eV. This surprising phenomenon originates from an intriguing substrate-orbital-filtering effect, which critically selects the orbital composition around the Fermi level, leading to different topological phases. In particular, the substrate-orbital-filtering effect converts the otherwise topologically trivial freestanding Bi lattice into a nontrivial phase; and the reverse is true for Au lattice. The underlying physical mechanism is generally applicable, opening a new and exciting avenue for exploration of large-gap topological surface/interface states.

206 citations

Journal ArticleDOI
01 Jun 2017-Small
TL;DR: A novel architecture made of CsPbX3 /ZnS quantum dot heterodimers synthesized via a facile solution-phase process is reported, which shows a strong blue-shift and decrease of recombination lifetime with increasing sulfurization, which is beneficial for charge diffusion in solar cells and photovoltaic applications.
Abstract: All-inorganic perovskite CsPbX3 (X = Cl, Br, I) and related materials are promising candidates for potential solar cells, light emitting diodes, and photodetectors. Here, a novel architecture made of CsPbX3 /ZnS quantum dot heterodimers synthesized via a facile solution-phase process is reported. Microscopic measurements show that CsPbX3 /ZnS heterodimer has high crystalline quality with enhanced chemical stability, as also evidenced by systematic density functional theory based first-principles calculations. Remarkably, depending on the interface structure, ZnS induces either n-type or p-type doping in CsPbX3 and both type-I and type-II heterojunctions can be achieved, leading to rich electronic properties. Photoluminescence measurement results show a strong blue-shift and decrease of recombination lifetime with increasing sulfurization, which is beneficial for charge diffusion in solar cells and photovoltaic applications. These findings are expected to shed light on further understanding and design of novel perovskite heterostructures for stable, tunable optoelectronic devices.

172 citations


Cited by
More filters
Journal ArticleDOI
01 Nov 2013-Science
TL;DR: In graphene heterostructures, the edge-contact geometry provides new design possibilities for multilayered structures of complimentary 2D materials, and enables high electronic performance, including low-temperature ballistic transport over distances longer than 15 micrometers, and room-tem temperature mobility comparable to the theoretical phonon-scattering limit.
Abstract: Heterostructures based on layering of two-dimensional (2D) materials such as graphene and hexagonal boron nitride represent a new class of electronic devices. Realizing this potential, however, depends critically on the ability to make high-quality electrical contact. Here, we report a contact geometry in which we metalize only the 1D edge of a 2D graphene layer. In addition to outperforming conventional surface contacts, the edge-contact geometry allows a complete separation of the layer assembly and contact metallization processes. In graphene heterostructures, this enables high electronic performance, including low-temperature ballistic transport over distances longer than 15 micrometers, and room-temperature mobility comparable to the theoretical phonon-scattering limit. The edge-contact geometry provides new design possibilities for multilayered structures of complimentary 2D materials.

2,606 citations

01 Nov 2000
TL;DR: In this paper, the authors compared the power density characteristics of ultracapacitors and batteries with respect to the same charge/discharge efficiency, and showed that the battery can achieve energy densities of 10 Wh/kg or higher with a power density of 1.2 kW/kg.
Abstract: The science and technology of ultracapacitors are reviewed for a number of electrode materials, including carbon, mixed metal oxides, and conducting polymers. More work has been done using microporous carbons than with the other materials and most of the commercially available devices use carbon electrodes and an organic electrolytes. The energy density of these devices is 3¯5 Wh/kg with a power density of 300¯500 W/kg for high efficiency (90¯95%) charge/discharges. Projections of future developments using carbon indicate that energy densities of 10 Wh/kg or higher are likely with power densities of 1¯2 kW/kg. A key problem in the fabrication of these advanced devices is the bonding of the thin electrodes to a current collector such the contact resistance is less than 0.1 cm2. Special attention is given in the paper to comparing the power density characteristics of ultracapacitors and batteries. The comparisons should be made at the same charge/discharge efficiency.

2,437 citations

Journal ArticleDOI
18 Jul 2011-Small
TL;DR: The synthesis, characterization, properties, and applications of graphene-based materials are discussed and the promising properties together with the ease of processibility and functionalization make graphene- based materials ideal candidates for incorporation into a variety of functional materials.
Abstract: Graphene, a two-dimensional, single-layer sheet of sp(2) hybridized carbon atoms, has attracted tremendous attention and research interest, owing to its exceptional physical properties, such as high electronic conductivity, good thermal stability, and excellent mechanical strength. Other forms of graphene-related materials, including graphene oxide, reduced graphene oxide, and exfoliated graphite, have been reliably produced in large scale. The promising properties together with the ease of processibility and functionalization make graphene-based materials ideal candidates for incorporation into a variety of functional materials. Importantly, graphene and its derivatives have been explored in a wide range of applications, such as electronic and photonic devices, clean energy, and sensors. In this review, after a general introduction to graphene and its derivatives, the synthesis, characterization, properties, and applications of graphene-based materials are discussed.

2,246 citations

Journal ArticleDOI
TL;DR: This review summarizes the major progress in the field, including the principles that permit atomically precise synthesis, new types of atomic structures, and unique physical and chemical properties ofatomically precise nanoparticles, as well as exciting opportunities for nanochemists to understand very fundamental science of colloidal nanoparticles.
Abstract: Colloidal nanoparticles are being intensely pursued in current nanoscience research. Nanochemists are often frustrated by the well-known fact that no two nanoparticles are the same, which precludes the deep understanding of many fundamental properties of colloidal nanoparticles in which the total structures (core plus surface) must be known. Therefore, controlling nanoparticles with atomic precision and solving their total structures have long been major dreams for nanochemists. Recently, these goals are partially fulfilled in the case of gold nanoparticles, at least in the ultrasmall size regime (1–3 nm in diameter, often called nanoclusters). This review summarizes the major progress in the field, including the principles that permit atomically precise synthesis, new types of atomic structures, and unique physical and chemical properties of atomically precise nanoparticles, as well as exciting opportunities for nanochemists to understand very fundamental science of colloidal nanoparticles (such as the s...

2,144 citations

Journal ArticleDOI
TL;DR: Recent advances in the use of graphene and other 2D materials in catalytic applications are reviewed, focusing in particular on the catalytic activity of heterogeneous systems such as van der Waals heterostructures (stacks of several 2D crystals).
Abstract: Graphene and other 2D atomic crystals are of considerable interest in catalysis because of their unique structural and electronic properties. Over the past decade, the materials have been used in a variety of reactions, including the oxygen reduction reaction, water splitting and CO2 activation, and have been shown to exhibit a range of catalytic mechanisms. Here, we review recent advances in the use of graphene and other 2D materials in catalytic applications, focusing in particular on the catalytic activity of heterogeneous systems such as van der Waals heterostructures (stacks of several 2D crystals). We discuss the advantages of these materials for catalysis and the different routes available to tune their electronic states and active sites. We also explore the future opportunities of these catalytic materials and the challenges they face in terms of both fundamental understanding and the development of industrial applications.

1,683 citations