keyword
https://read.qxmd.com/read/38536973/syntheses-crystal-structures-and-electronic-structures-of-quaternary-group-iv-selenide-semiconductors
#1
JOURNAL ARTICLE
Subhendu Jana, Eric Gabilondo, Scott McGuigan, Paul A Maggard
Early transition-metal chalcogenides have garnered recent attention for their optoelectronic properties for solar energy conversion. Herein, the first Zr-/Hf-chalcogenides with a main group cation, Ba9 Hf3 Sn2 Se19 ( 1 ) and Ba8 Zr2 SnSe13 (Se2 ) ( 2 ), have been synthesized. The structure of 1 is formed from isolated SnSe4 4- tetrahedra and distorted HfSe6 octahedra. The latter condense via face-sharing trimeric motifs that are further vertex-bridged into chains of 1 ∞ [Hf(1)2 Hf(2)Se11 ]10- . The structure of 2 is comprised of SnSe4 4- tetrahedra, Se2 2- dimers, and face-sharing dimers of distorted ZrSe6 octahedra...
March 27, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38529535/metal-to-semiconductor-switching-in-the-agte-monolayer-via-decoration-with-alkali-metal-and-alkaline-earth-metal-atoms-a-first-principles-perspective
#2
JOURNAL ARTICLE
A Bafekry, M M Fadlallah, M Faraji, S Hasan Khan, H R Jappor, Babak Shokri, M Ghergherehchi, Gap Soo Chang
In this work, employing first-principles calculations, we systematically investigate the atomic structure and electronic and optical properties of the AgTe monolayer, as well as the impact of alkali metal (Li, Na, K) and alkaline earth metal (Be, Mg, Ca) atoms decoration. The AgTe monolayer exhibits metallic characteristics. When Li, Na, K, and Mg atoms are decorated on the AgTe monolayer, the decorated AgTe monolayers are dynamically stable. In contrast, with Be and Ca atoms, the decorated structures are found to be dynamically unstable...
March 26, 2024: Physical Chemistry Chemical Physics: PCCP
https://read.qxmd.com/read/38528927/band-gap-engineering-in-lead-free-halide-cubic-perovskites-gagex-3-x-cl-br-and-i-based-on-first-principles-calculations
#3
JOURNAL ARTICLE
Md Amran Sarker, Md Mehedi Hasan, Md Al Momin, Ahmad Irfan, Md Rasidul Islam, Ahmed Sharif
Lead-free inorganic Ge-based perovskites GaGeX3 (X = Cl, Br, and I) are promising candidates for solar cell applications due to their structural, mechanical, electrical, and optical properties. In this work, we performed density functional theory (DFT) calculations using the CASTEP module to investigate these properties in detail. We found that the lattice parameters and cell volumes increase with the size of the halogen atoms, and that all the compounds are stable and ductile. GaGeBr3 has the highest ductility, machinability, and lowest hardness, while GaGeCl3 has the highest anisotropy...
March 20, 2024: RSC Advances
https://read.qxmd.com/read/38526525/unassisted-photoelectrochemical-h-2-o-2-production-with-in-situ-glycerol-valorization-using-%C3%AE-fe-2-o-3
#4
JOURNAL ARTICLE
Sarang Kim, Dongrak Oh, Ji-Wook Jang
Photoelectrochemical (PEC) H2 O2 production via two-electron O2 reduction is promising for H2 O2 production without emitting CO2 . For PEC H2 O2 production, α-Fe2 O3 is an ideal semiconductor owing to its earth abundance, superior stability in water, and an appropriate band gap for efficient solar light utilization. Moreover, its conduction band is suitable for O2 reduction to produce H2 O2 . However, a significant overpotential for water oxidation is required due to the poor surface properties of α-Fe2 O3 ...
March 25, 2024: Nano Letters
https://read.qxmd.com/read/38525965/theoretical-insights-into-the-structural-mechanical-and-electronic-properties-of-bcc-c40-carbon
#5
JOURNAL ARTICLE
Ying Ma, Pan Ying, Kun Luo, Yingju Wu, Baozhong Li, Julong He
Novel materials displaying multiple exceptional properties are the backbone of the advancement of various industries. In the field of carbon materials, the combination of different properties has been extensively developed to satisfy diverse application scenarios, for instance, conductivity paired with exceptional hardness, outstanding toughness coupled with super-hardness, or heat resistance combined with super-hardness. In this work, a new carbon allotrope, bcc-C40 carbon, was predicted and investigated using first-principles calculations based on density functional theory...
March 25, 2024: Physical Chemistry Chemical Physics: PCCP
https://read.qxmd.com/read/38523079/theoretical-characterization-of-germanene-doped-with-main-group-elements
#6
JOURNAL ARTICLE
Pablo Andres Denis, Jose Laranjeira, Julio Sambrano
Herein, using density functional calculations, we studied the substitutional doping in germanene with B, C, N, O, Al, Si, P, S, Ga, As, and Se. Nitrogen is the element that can be more easily incorporated into the germanene lattice, followed by silicon, carbon, and boron. Almost all dopants were efficient in opening a band-gap. Yet, caution should be taken because this opening strongly depends on the dopant concentration. Carbon and sulfur were the most effective elements for band-gap opening. C-doping generates the lowest effective masses (me*/m0=mh*/m0=0...
March 24, 2024: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://read.qxmd.com/read/38522107/synthesis-of-silicon-carbide-in-a-matrix-of-graphite-like-carbon-prepared-via-carbonization-of-rigid-rod-polyimide-langmuir-blodgett-films-on-silicon-substrate
#7
JOURNAL ARTICLE
Svetlana Goloudina, Vyacheslav Pasyuta, Demid Kirilenko, Aleksandr Smirnov, Igor Kasatkin, Evgeny Zhizhin, Aleksandra Koroleva, Evgeny Sevostiyanov, Mikhail Panov, Valentina Trushlyakova, Iosif Gofman, Valentin Svetlichnyi, Viktor Luchinin
Silicon carbide (SiC) is a wide-band gap semiconductor that exceeds other semiconducting materials (except diamond) in electrical, mechanical, chemical, and radiation stability. In this paper, we report a novel approach to fabrication of SiC nano films on a Si substrate, which is based on the endotaxial growth of a SiC crystalline phase in a graphite-like carbon (GLC) matrix. GLC films were formed by carbonization of rigid rod polyimide (PI) Langmuir-Blodgett (LB) films on a Si substrate at 1000˚C in vacuum...
March 24, 2024: Nanotechnology
https://read.qxmd.com/read/38517367/fabrication-of-zno-scaffolded-cds-nanostructured-photoanodes-with-enhanced-photoelectrochemical-water-splitting-activity-under-visible-light
#8
JOURNAL ARTICLE
Avinash Rokade, Ganesh K Rahane, Aleksandar Živković, Swati N Rahane, Hemant S Tarkas, K Hareesh, Nora H de Leeuw, Shrikrishna Dattatraya Sartale, Nelson Y Dzade, Sandesh R Jadkar, Sachin R Rondiya
CdS, characterized by its comparatively narrow energy band gap (∼2.4 eV), is an appropriate material for prospective use as a photoanode in photoelectrochemical water splitting. Regrettably, it encounters several obstacles for practical and large-scale applications, including issues such as bulk carrier recombination and diminished conductivity. Here, we have tried to address these challenges by fabricating a novel photoelectrode (ZnO/CdS) composed of one-dimensional ZnO nanorods (NRs) decorated with two-dimensional CdS nanosheets (NSs)...
March 22, 2024: Langmuir: the ACS Journal of Surfaces and Colloids
https://read.qxmd.com/read/38516956/anodic-reconstructed-p-gaas-a-inasn-for-stable-and-efficient-photoelectrochemical-hydrogen-evolution
#9
JOURNAL ARTICLE
Jiehui Liang, Peixin Liu, Shaohua Xie, Qianhu Liu, Junkun Wang, Jiansen Guo, Haoyang Wu, Wenliang Wang, Guoqiang Li
The extremely poor solution stability and massive carrier recombination have seriously prevented III-V semiconductor nanomaterials from efficient and stable hydrogen production. In this work, an anodic reconstruction strategy based on group III-V active semiconductors is proposed for the first time, resulting in 19-times photo-gain. What matters most is that the device after anodic reconstruction shows very superior stability under the protracted photoelectrochemical (PEC) test over 8100 s, while the final photocurrent density does not decrease but rather increases by 63...
March 22, 2024: Small
https://read.qxmd.com/read/38513293/comparative-first-principles-investigation-on-the-structural-optoelectronic-and-vibrational-properties-of-strain-engineered-graphene-like-alc3-bc3-and-c3n-monolayers
#10
JOURNAL ARTICLE
Souvik Bhattacharjee, Anibrata Banerjee, Kalyan Kumar Chattopadhyay
Three cardinal two-dimensional semiconductors viz., AlC3, BC3 and C3N, closely resembling the graphene structure, are intriguing contenders for emerging optoelectronic and thermomechanical applications. Starting from a critical stability analysis, this density functional theory (DFT) study delves into a quantitative assessment of structural, mechanical, electronic, optical, vibrational and thermodynamical properties of these monolayers as a function of biaxial strain (Ԑ) in a sublinear regime (-2%≤Ԑ≤4%) of elastic deformation...
March 21, 2024: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://read.qxmd.com/read/38511934/high-pressure-synthesis-of-semiconducting-pbcu-3-mn-4-o-12-with-near-room-temperature-ferrimagnetic-order
#11
JOURNAL ARTICLE
Haoting Zhao, Dabiao Lu, Xiao Wang, Xubin Ye, Jie Zhang, Maocai Pi, Zhao Pan, Yi-Ying Chin, Chien-Te Chen, Zhiwei Hu, Youwen Long
A transition-metal oxide of PbCu3 Mn4 O12 was prepared at 1523 K and 10 GPa. An A-site-ordered quadruple perovskite structure with the space group Im 3̅ is assigned for this compound. Based on bond-valence-sum calculations and X-ray absorption spectroscopy, the charge combination is determined to be PbCu3 2+ Mn4 4+ O12 . Due to Cu2+ (↑)-Mn4+ (↓) antiferromagnetic coupling, a near-room-temperature ferrimagnetic phase transition is observed at approximately 287 K. PbCu3 Mn4 O12 exhibits a semiconducting electric transport property with the energy band gap E g ≈ 0...
March 21, 2024: Inorganic Chemistry
https://read.qxmd.com/read/38502905/advancements-in-self-assembling-peptides-bridging-gaps-in-3d-cell-culture-and-electronic-device-fabrication
#12
REVIEW
Azadeh Jafari
Self-assembling peptides (SAPs) show promise in creating synthetic microenvironments that regulate cellular function and tissue repair. Also, the precise π-π interactions and hydrogen bonding within self-assembled peptide structures enable the creation of quantum confined structures, leading to reduced band gaps and the emergence of semiconductor properties within the superstructures. This review emphasizes the need for standardized 3D cell culture methods and electronic devices based on SAPs for monitoring cell communication and controlling cell surface morphology...
March 19, 2024: Journal of Biomaterials Applications
https://read.qxmd.com/read/38501755/unraveling-electron-dynamics-in-p-type-indium-phosphide-100-a-time-resolved-two-photon-photoemission-study
#13
JOURNAL ARTICLE
Jonathan Diederich, Jennifer Velasquez Rojas, Mohammad Amin Zare Pour, Isaac Azahel Ruiz Alvarado, Agnieszka Paszuk, Rachele Sciotto, Christian Höhn, Klaus Schwarzburg, David Ostheimer, Rainer Eichberger, Wolf Gero Schmidt, Thomas Hannappel, Roel van de Krol, Dennis Friedrich
Renewable ("green") hydrogen production through direct photoelectrochemical (PEC) water splitting is a potential key contributor to the sustainable energy mix of the future. We investigate the potential of indium phosphide (InP) as a reference material among III-V semiconductors for PEC and photovoltaic (PV) applications. The p(2 × 2)/c(4 × 2)-reconstructed phosphorus-terminated p-doped InP(100) (P-rich p-InP) surface is the focus of our investigation. We employ time-resolved two-photon photoemission (tr-2PPE) spectroscopy to study electronic states near the band gap with an emphasis on normally unoccupied conduction band states that are inaccessible through conventional single-photon emission methods...
March 19, 2024: Journal of the American Chemical Society
https://read.qxmd.com/read/38496938/di-and-tricyanovinyl-substituted-triphenylamines-structural-and-computational-studies
#14
JOURNAL ARTICLE
Phuong-Truc T Pham, Mamoun M Bader
We report herein on the solid-state structures of three closely related triphenylamine derivatives endowed with tricyanovinyl (TCV) and dicyanovinyl (DCV) groups. The molecules described contain structural features commonly found in the design of functional organic materials, especially donor-acceptor molecular and polymeric architectures. The common feature noticeable in these structures is the impact of these exceptionally strong electron-accepting groups in forcing partial planarity of the portion of the molecule carrying these groups and directing the molecular packing in the solid state, resulting in the formation of π-stacks of dimers within the unit cell of each...
March 12, 2024: ACS Omega
https://read.qxmd.com/read/38488855/control-of-the-hydroquinone-benzoquinone-redox-state%C3%A2-in-high-mobility-semiconducting-conjugated-coordination-polymers
#15
JOURNAL ARTICLE
Xing Huang, Yang Li, Shuai Fu, Chao Ma, Yang Lu, Mingchao Wang, Peng Zhang, Ze Li, Feng He, Chuanhui Huang, Zhongquan Liao, Ye Zou, Shengqiang Zhou, Manfred Helm, Petko St Petkov, Hai I Wang, Mischa Bonn, Jian Li, Wei Xu, Renhao Dong, Xinliang Feng
Conjugated coordination polymers (c-CPs) are unique organic-inorganic hybrid semiconductors with intrinsically high electrical conductivity and excellent charge carrier mobility. However, it remains a challenge in tailoring electronic structures, due to the lack of clear guidelines. Here, we develop a strategy wherein controlling the redox state of hydroquinone/benzoquinone (HQ/BQ) ligands allows for the modulation of the electronic structure of c-CPs while maintaining the structural topology...
March 15, 2024: Angewandte Chemie
https://read.qxmd.com/read/38482036/n-p-doping-in-a-buckled-honeycomb-inas-monolayer-using-iva-group-impurities
#16
JOURNAL ARTICLE
D M Hoat, J Guerrero-Sanchez
In this work, the effects of n/p-doping on the electronic and magnetic properties of a low-buckled honeycomb InAs monolayer are investigated using first-principles calculations. Herein, IVA-group atoms (C, Si, Ge, Sn, and Pb) are selected as impurities for n-doping in the In sublattice and p-doping in the As sublattice. The pristine monolayer is a semiconductor with a band gap of 0.77(1.41) as determined using the PBE(HSE06) functional. A single In vacancy induces magnetic semiconductor behavior with a large total magnetic moment of 2...
March 12, 2024: Nanoscale advances
https://read.qxmd.com/read/38477036/spectral-asymmetry-induces-a-re-entrant-quantum-hall-effect-in-a-topological-insulator
#17
JOURNAL ARTICLE
Li-Xian Wang, Wouter Beugeling, Fabian Schmitt, Lukas Lunczer, Julian-Benedikt Mayer, Hartmut Buhmann, Ewelina M Hankiewicz, Laurens W Molenkamp
The band inversion of topological materials in three spatial dimensions is intimately connected to the parity anomaly of 2D massless Dirac fermions, known from quantum field theory. At finite magnetic fields, the parity anomaly reveals itself as a non-zero spectral asymmetry, i.e., an imbalance between the number of conduction and valence band Landau levels, due to the unpaired zero Landau level. This work reports the realization of this 2D Dirac physics at a single surface of the 3D topological insulator (Hg,Mn)Te...
March 13, 2024: Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
https://read.qxmd.com/read/38473667/photonic-crystal-structures-for-photovoltaic-applications
#18
REVIEW
Anna Starczewska, Mirosława Kępińska
Photonic crystals are artificial structures with a spatial periodicity of dielectric permittivity on the wavelength scale. This feature results in a spectral region over which no light can propagate within such a material, known as the photonic band gap (PBG). It leads to a unique interaction between light and matter. A photonic crystal can redirect, concentrate, or even trap incident light. Different materials (dielectrics, semiconductors, metals, polymers, etc.) and 1D, 2D, and 3D architectures (layers, inverse opal, woodpile, etc...
March 4, 2024: Materials
https://read.qxmd.com/read/38473446/thermoelectric-properties-of-zn-doped-ybmg-1-85-x-zn-x-bi-1-98
#19
JOURNAL ARTICLE
Simin Wei, Nailing Qin, Guiying Wu, Zhengbing Xu, Lei Miao, Xiyong Chen, Jialin Yan
Bi-based YbMg2 Bi1.98 Zintl compounds represent promising thermoelectric materials. Precise composition and appropriate doping are of great importance for this complex semiconductor. Here, the influence of Zn substitution for Mg on the microstructure and thermoelectric properties of p -type YbMg1.85- x Zn x Bi1.98 ( x = 0, 0.05, 0.08, 0.13, 0.23) was investigated. Polycrystalline samples were prepared using induction melting and densified with spark plasma sintering. X-ray diffraction confirmed that the major phase of the samples possesses the trigonal CaAl2 Si2 -type crystal structure, and SEM/EDS indicated the presence of minor secondary phases...
February 20, 2024: Materials
https://read.qxmd.com/read/38472539/watt-level-continuous-wave-antimonide-laser-diodes-with-high-carrier-confined-active-region-above-2-5-%C3%A2%C2%B5m
#20
JOURNAL ARTICLE
Hongguang Yu, Chengao Yang, Yihang Chen, Tianfang Wang, Jianmei Shi, Juntian Cao, Zhengqi Geng, Zhiyuan Wang, Yu Zhang, Yingqiang Xu, Haiqiao Ni, Zhichuan Niu
Thanks to high performance above room temperature, antimonide laser diodes have shown great potential for broad application in the mid-infrared spectral region. However, the laser`s performance noticeably deteriorates due to the reduction of carrier confinement with increased emission wavelength. In this paper, a novel active region with higher carrier confinements both of electron and hole, by the usage of an indirect bandgap material of Al0.5 GaAs0.04 Sb as the quantum barrier, was put up to address the poor carrier confinement of GaSb-based type-I multi-quantum-well (MQW) diode lasers emission wavelength above 2...
March 12, 2024: Discov Nano
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