Article
Chemistry, Physical
Chaeyeon Lim, Mahnmin Choi, Taewan Kim, Daekwon Shin, Jung Hoon Song, Sohee Jeong
Summary: The electrical properties of solar cells fabricated with bandgap-tuned lead sulfide (PbS) quantum dots (QDs) were analyzed in this study. It was found that reducing the thickness of the QD active layer is necessary for achieving high power conversion efficiency, mainly due to the increasing doping concentration of the QD film as the QD bandgap decreases. It is suggested that the electrical characteristics of QD photovoltaic devices should be taken into consideration when designing their structures in relation to the bandgap.
MATERIALS TODAY ENERGY
(2023)
Article
Chemistry, Multidisciplinary
Jaco J. Geuchies, Baldur Brynjarsson, Gianluca Grimaldi, Solrun Gudjonsdottir, Ward van der Stam, Wiel H. Evers, Arjan J. Houtepen
Summary: Research demonstrates that by electrochemically doping films of CdSe/CdS/ZnS QDs, quantitative control over the gain threshold can be achieved, opening up a new route for the creation of cheap, solution-processable, low-threshold QD lasers.
Article
Energy & Fuels
Menglin Huang, Shuaicheng Lu, Kanghua Li, Yue Lu, Chao Chen, Jiang Tang, Shiyou Chen
Summary: The study demonstrates that lead doping can effectively enhance p-type conductivity in antimony selenide (Sb2Se3), achieving a high density of free hole carrier for the first time. A new p-type doping strategy is proposed based on theoretical analysis and experimental results, along with insights into defect densities related to device performance improvements.
Article
Engineering, Electrical & Electronic
Ahmad Salmanogli, Dincer Gokcen
Summary: The study focuses on designing an optoelectronic converter to enhance entanglement between retained and returned modes at high temperatures. By replacing the mechanical part with optoelectronic components and investigating the coupling factor, entanglement sustainability can be improved. At specific values of the coupling factor, complete entanglement can be maintained up to 5.5 K and partially entangled around 50 K.
IEEE SENSORS JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Vincent Notot, Willem Walravens, Maxime Berthe, Nemanja Peric, Ahmed Addad, Xavier Wallart, Christophe Delerue, Zeger Hens, Bruno Grandidier, Louis Biadala
Summary: The doping in square and epitaxially fused PbSe quantum dot superlattices was explored using low-temperature scanning tunneling microscopy and spectroscopy. The study found that the electronic coupling between quantum dots leads to the release and capture of free holes.
Article
Nanoscience & Nanotechnology
Shihab Bin Hafiz, Mohammad M. Al Mahfuz, Dong-Kyun Ko
Summary: The study introduces the first vertical intraband quantum dot heterojunction devices, composed of Ag2Se/PbS/Ag2Se quantum dot stacks, which offer reduced dark conductivity and simplified device fabrication process. The improvement in the colloidal synthesis of Ag2Se quantum dots was discussed, along with analysis of key processes and device performance parameters, leading to a significant increase in mid-wavelength responsivity at room temperature compared to previous generation devices.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Spectroscopy
Ya Chu, Yurong Guo, Guangjiu Zhao
Summary: This study demonstrates a doping strategy to enhance the optical properties of lead-free perovskite quantum dots without altering their favorable electronic structure, offering a valid strategy for improving their quality.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Physical
Miguel Albaladejo-Siguan, David Becker-Koch, Elizabeth C. Baird, Yvonne J. Hofstetter, Ben P. Carwithen, Anton Kirch, Sebastian Reineke, Artem A. Bakulin, Fabian Paulus, Yana Vaynzof
Summary: Light-harvesting devices made from lead sulfide quantum dot absorbers have promising applications in third-generation photovoltaics. Passivating the quantum dot surfaces and managing the excess lead halide can improve device performance and stability.
ADVANCED ENERGY MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Kun Liang, Rui Wang, Bingbing Huo, Huihui Ren, Dingwei Li, Yan Wang, Yingjie Tang, Yitong Chen, Chunyan Song, Fanfan Li, Botao Ji, Hong Wang, Bowen Zhu
Summary: This research reports a high-performance optoelectronic synaptic transistor based on hybrid heterostructures, which utilizes heavy-metal-free quantum dots and oxide semiconductor materials, achieving a high-accuracy artificial vision system and demonstrating important synaptic behaviors.
Article
Materials Science, Multidisciplinary
S. V. Aksenov
Summary: In this study, we investigate the interference transport features of a curved heterostructure in hybrid superconducting/semiconducting nanowires, considering the spatial inhomogeneity of the experimentally investigated samples. By analyzing a set of limiting cases, we highlight the interference properties unique to different types of Andreev bound states (ABSs), including bulk ABS, inhomogeneous ABS, and Majorana bound states (MBS). The features of the Aharonov-Bohm effect are particularly emphasized.
Review
Chemistry, Multidisciplinary
Oleksandr Stroyuk, Oleksandra Raievska, Jens Hauch, Christoph J. Brabec
Summary: Tailored modifications of halide lead-free perovskites (LFPs) via doping/alloying with metal cations have shown promise in achieving highly efficient inorganic phosphors. These materials exhibit selective sensitivity to UV light, a broad PL range, long PL lifetimes, and unique compositional variability and stability.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Engineering, Electrical & Electronic
Jaehyun Kim, Joon Bee Park, Myung-Gil Kim, Sung Kyu Park
Summary: In this study, highly photosensitive CdSe QDs/solution-processed amorphous oxide semiconductor hybrid phototransistors with efficient photo-induced charge carrier transport were achieved using molecular metal chalcogenide (MCC) ligands surface functionalization. The interplay between photosensitive chelating MCC ligands of the QDs and trap-free optoelectronic performance of phototransistors was comprehensively investigated, leading to ultrahigh photosensitivity. The CdSe QD/a-IGZO phototransistors exhibited excellent performance compared to other types of phototransistors in a broad range of incident light power.
IEEE ELECTRON DEVICE LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Nikita I. Selivanov, Anna Yu. Samsonova, Ruslan Kevorkyants, Irina V. Krauklis, Yuri V. Chizhov, Boris V. Stroganov, Marios E. Triantafyllou-Rundell, Detlef W. Bahnemann, Constantinos C. Stoumpos, Alexei V. Emeline, Yury V. Kapitonov
Summary: The study introduces a new family of hybrid organic-inorganic 2D lead halides, reporting the first example of the hybrid organic-inorganic post-perovskite 3-cyanopyridinium lead tribromide (3cp)PbBr3. The new material exhibits unique structural connectivity and optical properties that show significant anisotropy within the inorganic layer plane.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Physical
Farheen F. Jaldurgam, Zubair Ahmad, Farid Touati, Abdulla Al Ashraf, Abdul Shakoor, Jolly J. Bhadra, Noora Al-Thani, Talal Altahtamouni
Summary: Our current work aims to enhance the thermoelectric properties of p-type copper selenide by a low-cost, simple and fast microwave-assisted metallurgy route. The results indicate exceptional electrical, thermal, and mechanical properties for samples annealed at 375 ? with high room temperature electrical conductivity and ultra-low thermal conductivity.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Chemistry, Physical
Piyali Maity, Shiv Kumar, Ravi Kumar, S. N. Jha, D. Bhattacharyya, S. R. Barman, Sandip Chatterjee, Bhola N. Pal, Anup K. Ghosh
Summary: In this study, monodispersed and environmentally stable cobalt-doped CdS quantum dots were successfully synthesized and characterized for potential use in thin film optoelectronic devices. Analysis revealed the creation of a new doping band near the NIR region in the Co-doped CdS QDs, leading to enhanced photoconductivity and promising potential for UV-vis/NIR thin film optoelectronic devices.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Henry J. Shulevitz, Tzu-Yung Huang, Jun Xu, Steven J. Neuhaus, Raj N. Patel, Yun Chang Choi, Lee C. Bassett, Cherie R. Kagan
Summary: In this study, a scalable strategy using capillary-driven, template-assisted self-assembly is presented to form ordered arrays of nanodiamonds. Measurements of over 200 nanodiamonds reveal a statistical understanding of their structural, optical, and quantum properties.
Review
Chemistry, Multidisciplinary
Yi-Yu Cai, Yun Chang Choi, Cherie R. Kagan
Summary: Colloidal noble metal nanoparticles can be assembled into different forms of artificial metamolecules and materials with tunable optical properties, allowing manipulation of light transmission and reflection.
ADVANCED MATERIALS
(2023)
Review
Chemistry, Physical
Daniel B. Straus, Cherie R. Kagan
Summary: Two-dimensional organic-inorganic hybrid perovskites (2DHPs) have tunable structural and optical properties, with the organic cation playing a key role. Despite excitons residing in the metal-halide layers, the organic and inorganic frameworks must be considered as a whole to fully understand the photophysics. The cation-induced distortion and disorder in the inorganic lattice are correlated with the resulting optical properties.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY
(2022)
Article
Agriculture, Multidisciplinary
Cherie R. Kagan, David P. Arnold, David J. Cappelleri, Catherine M. Keske, Kevin T. Turner
Summary: The National Science Foundation (NSF) Engineering Research Center (ERC) for the Internet of Things for Precision Agriculture (IoT4Ag) aims to utilize IoT technologies to achieve precision agriculture and educate a diverse workforce to tackle the future challenges of food, energy, and water security.
COMPUTERS AND ELECTRONICS IN AGRICULTURE
(2022)
Article
Materials Science, Multidisciplinary
Lun Jin, Danrui Ni, Xin Gui, Daniel B. Straus, Qiang Zhang, Robert J. Cava
Summary: We report two solid solutions based on the magnetic ion doping of the double perovskite oxide Sr2GaSbO6: Sr2Ga1-xCrxSbO6 (0.1 <= x <= 0.4) and Sr2Ga1-xFexSbO6 (0.1 <= x <= 0.4). The Cr- and Fe-doped phases exhibit dominant antiferromagnetic coupling among the dopant magnetic moments and decreasing band gaps with increasing substitution level.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Editorial Material
Chemistry, Multidisciplinary
Nicholas A. Kotov, Deji Akinwande, C. Jeffrey Brinker, Jillian M. Buriak, Warren C. W. Chan, Xiaodong Chen, Manish Chhowalla, William Chueh, Sharon C. Glotzer, Yury Gogotsi, Mark C. Hersam, Dean Ho, Tony Hu, Ali Javey, Cherie R. Kagan, Kazunori Kataoka, Il-Doo Kim, Shuit-Tong Lee, Young Hee Lee, Luis M. Liz-Marzan, Jill E. Millstone, Paul Mulvaney, Andre E. Nel, Peter Nordlander, Wolfgang J. Parak, Reginald M. Penner, Andrey L. Rogach, Mathieu Salanne, Raymond E. Schaak, Ajay K. Sood, Molly Stevens, Vladimir Tsukruk, Andrew T. S. Wee, Ilja Voets, Tanja Weil, Paul S. Weiss
Article
Chemistry, Physical
Emanuele Marino, Sjoerd W. Van Dongen, Steven J. Neuhaus, Weixingyue Li, Austin W. Keller, Cherie R. Kagan, Thomas E. Kodger, Christopher B. Murray
Summary: Superparticles made from colloidal nanocrystals have great potential in material design. We demonstrate a general method to produce monodisperse nanocrystal superparticles with controllable sizes and morphologies. These superparticles have high optical quality and can select the wavelength of the lasing modes by assembling into clusters, showing an example of collective photonic behavior.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Emanuele Marino, Harshit Bharti, Jun Xu, Cherie R. Kagan, Christopher B. Murray
Summary: In this work, we fabricate tunable optical microresonators using semiconductor nanocrystals. By changing the surface chemistry and initiating photo-oxidation of the nanocrystals, we are able to effectively tune the cavity length and refractive index of the microresonator. This study provides a new approach for constructing optical circuits.
Article
Chemistry, Multidisciplinary
Austin W. Keller, Emanuele Marino, Di An, Steven J. Neuhaus, Katherine C. Elbert, Christopher B. Murray, Cherie R. Kagan
Summary: Patterning materials with nanoscale features opens up various research opportunities. This study demonstrates the use of colloidal lithography to transfer an anisotropic pattern of discrete features onto substrates with critical dimensions below 5 nm.
Article
Multidisciplinary Sciences
Dahin Kim, Dennis Ndaya, Reuben Bosire, Francis K. Masese, Weixingyue Li, Sarah M. Thompson, Cherie R. Kagan, Christopher B. Murray, Rajeswari M. Kasi, Chinedum O. Osuji
Summary: Liquid crystals (LCs) are promising materials for the fabrication of reconfigurable arrays of 2D nanomaterials. However, achieving stable dispersions of nanomaterials in LCs is challenging. In this study, good dispersions of pristine CdSe nanoplatelets (NPLs) in LCs were achieved, and their alignment and associated photoluminescence could be controlled by a magnetic field. The dispersion stability was greatly enhanced using polymeric LCs, and the stability was higher in the smectic phases compared to the nematic phases. The aligned composites exhibited highly polarized emission that could be manipulated by field-realignment, which can have applications in programmable materials for photonics.
NATURE COMMUNICATIONS
(2022)
Article
Nanoscience & Nanotechnology
Daniel B. Straus, Robert J. Cava
Summary: By using solid-state synthesis, the band gap of halide perovskite CsPbBr3 can be continuously widened through homovalent substitution, allowing its optical properties to be tailored for absorptive and emissive applications.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Inorganic & Nuclear
Teresa Lee, Daniel B. Straus, Kasey P. Devlin, Xin Gui, Pria Louka, Weiwei Xie, Robert J. Cava
Summary: This study synthesizes and characterizes the magnetic and thermodynamic properties of quasi one-dimensional organic-inorganic hybrid ANiCl3 compounds and reports the crystal structure of (CH3)2NH2NiCl3. The magnetic coupling within chains can be predicted by the value of the Ni-Cl-Ni angle.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Tianshuo Zhao, Qinghua Zhao, Jaeyoung Lee, Shengsong Yang, Han Wang, Ming-Yuan Chuang, Yulian He, Sarah M. Thompson, Guannan Liu, Nuri Oh, Christopher B. Murray, Cherie R. Kagan
Summary: In this study, tetrahedral InP QDs with approximately 8 nm edge length were synthesized and used to investigate charge transport in thin films via the FET platform. A hybrid ligand-exchange strategy was designed to enhance interdot coupling and control n-doping of InP QD films, leading to significant improvements in electron mobility and on-off current ratio in FET devices. Surface modification with thin Se overlayers resulted in lower trap-state densities and longer carrier lifetimes, increasing carrier diffusion length by four times.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Steven J. Neuhaus, Emanuele Marino, Christopher B. Murray, Cherie R. . Kagan
Summary: Self-assembled superparticles composed of colloidal quantum dots are used to create microsphere cavities that support optically pumped lasing from whispering gallery modes. The lasing properties of CdSe/CdS quantum dot superparticles are found to be dependent on the excitation fluence and time, with blue-shifts occurring over a 15-minute period. A high-fluence light soaking protocol is established to counter this effect, resulting in reduced blue-shifts and enabling color-tunable lasing from red to green. This study suggests that quantum dot superparticles have the potential to be low-cost, robust, solution-processable, and tunable microlasers.
Article
Chemistry, Physical
Teresa Lee, Daniel B. Straus, Xianghan Xu, Weiwei Xie, Robert J. Cava
Summary: Magnetically active atomic distances can directly or indirectly impact the magnetic ordering in a given system. We synthesized three novel quasi-one-dimensional organic-inorganic hybrid cobalt chloride chain compounds and characterized their magnetic and thermodynamic properties. These compounds exhibit anti-ferromagnetic intrachain coupling and the strength of correlations is comparable across the three materials. The interchain Co-Co distance, which is determined by the size of the organic cation, is directly related to the temperature of long-range magnetic ordering.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Jameel Ahmed Bhutto, Zhonglin He, Jawayria Najeeb, Sumaira Naeem, Eman A. Mahmoud, Hosam O. Elansary
Summary: Designing novel drugs using data-driven and virtual screening approaches, such as machine learning and data mining, is a popular research topic in the pharmaceutical industry. In this study, ML models were trained using data collected from academic research articles, and molecular descriptors were utilized. The best ML models were selected and optimized to identify potential compounds for aromatase inhibitors. These models accurately predicted the inhibition values of compounds in a database, and new compounds were designed based on the predictions. Overall, this study demonstrates the potential significance of data-driven and virtual screening approaches in pharmaceutical research.
Article
Chemistry, Physical
Raphael M. Tromer, Isaac M. Felix, Levi C. Felix, Leonardo D. Machado, Cristiano F. Woellner, Douglas S. Galvao
Summary: This study investigates the adsorption mechanisms of hydrogen atoms and molecules on 2D metallic porphyrins using DFT simulations. The results show that hydrogen atoms are chemisorbed while hydrogen molecules are physisorbed. Vanadium and chromium embedded porphyrins exhibit the highest maximum adsorption energies for hydrogen atoms, while scandium embedded porphyrins exhibit the highest maximum adsorption energy for hydrogen molecules. Furthermore, charge transfer is minimal for physisorption and significant for chemisorption. Uniaxial strain has minimal effects on the adsorption properties of 2D metallic porphyrins.
Article
Chemistry, Physical
Ankur Kanti Guha
Summary: This study examines the genuineness of a proposed quadruple bond in AeF(-) (Ae = Be-Ba) using electron localization function (ELF). The ELF analysis reveals the presence of a disynaptic Ae-F basin with electron integration much lower than expected for a quadruple bond. These bonds are classified as Charge-Shift bonds due to the excess kinetic energy in the bonding basins.
Article
Chemistry, Physical
X. F. Yang, Y. J. Dong, H. L. Yu, X. X. Tao, Y. S. Liu
Summary: This study investigates the spin-polarized transport properties of an iron-complex molecule sandwiched between two ferromagnetic zigzag-edged graphene nanoribbon electrodes. The results show the presence of single-spin switching effect, perfect spin filtering effect, and negative differential electrical and thermoelectric resistance in the molecular device. These findings suggest the potential applications of iron-complex molecular devices in the next-generation spin electric and thermoelectric devices.
Article
Chemistry, Physical
Zhengwei Yan, Tianchu Zhao, Qinghua Ren
Summary: In this study, the chemically accurate hybrid MP2:(PBE + D2) + Delta CCSD(T) method was used to investigate the transition states of alkenes reacting with the Al(2)O(7) Bronsted acid site in H-ferrierite (H-FER). The results showed that the MP2 + Delta CC intrinsic energy barriers were higher than the corresponding PBE + D2 intrinsic energy barriers, and the relative energies of the transition states decreased with the increase of the carbon number. For the reactant of propene, the conversion into 2-propoxide had a lower energy barrier compared to the conversion into 1-propoxide.
Article
Chemistry, Physical
Yutong Yao, Qihang Liang, Fawei Zheng, Menglei Li
Summary: In this study, first-principle calculations were used to investigate the structural, electronic, and superconducting properties of hydrogen-rich plutonium polyhydrides under high pressures. The results showed that these systems exhibited metallic behavior, with a low superconducting transition temperature. Additionally, it was found that the f electrons in plutonium had a detrimental effect on the superconductivity in these polyhydrides.
Article
Chemistry, Physical
Ryan Lambert, Arthur C. Reber, Turbasu Sengupta, Shiv N. Khanna
Summary: This study demonstrates how the placement of terminal ligands and the deposition of alkali atoms control the band gap energy and placement of band edges in phosphorene nanoribbons. The work function is significantly affected by the induced dipole of the terminal groups, and the band gap can be manipulated by adding alkali atoms on the surface.
Article
Chemistry, Physical
Daiya Nagai, Akimasa Fujihara
Summary: The effects of intermolecular interactions on the reactivity of hydrogen-bonded clusters of adenosine and tryptophan in the gas phase were investigated using water adsorption and ultraviolet photoexcitation. The results showed that water adsorption weakened the intermolecular interactions between adenosine and tryptophan in the clusters and inhibited the photoinduced glycosidic bond cleavage of adenosine.
Article
Chemistry, Physical
Xiaoping Han, Maamar Benkraouda, Zhiyuan Wang, Zongsheng Zhang, Noureddine Amrane
Summary: This study investigates the effects of Fe substitution and its complex with Sb vacancy on the magnetic properties and optoelectronic functionalities of antimonene. It is found that Fe substitution induces magnetism and promotes optical absorption, while further incorporation of VSb stabilizes Fe dopant and enhances both magnetism and photoabsorption. This work has implications in developing spintronic and optoelectronic applications.
Article
Chemistry, Physical
Yifei Zhang, Xi Wang, Na Liu, Faming Lu
Summary: Understanding the ultrafast electron transfer (ET) processes involving various vibronic excitation in biological systems is challenging. This study investigated the excitation dependence of the photo-induced ET dynamics by selecting mutants in flavodoxin with different ET lifetimes. The results showed that increasing excitation energies resulted in higher vibrational excitation in products for the ultrafast ET processes, but no dependence was found for slower ET due to complete vibrational relaxation.
Article
Chemistry, Physical
Xiang Ge, Jigang Zhao, Xiangqian Yuan, Haitao Shen, Shiyong Wu
Summary: This study investigated the catalytic splitting of 1,1,2-TCE and found that CsCl showed the best catalytic effect. Characterization results of CO2-TPD and NH3-TPD suggested that alkaline sites were beneficial for the selective generation of VDC.
Article
Chemistry, Physical
Theerapol Thurakitseree, Arunothai Rattanachata, Hideki Nakajima, Somruthai Phothiphiphit, Surasak Kuimalee, Pimpun Suknet
Summary: Thin film nitrogen-doped SWCNTs were synthesized using floating-catalyst chemical vapor deposition. The incorporation of low levels of nitrogen into the carbon network resulted in predominance of substitutional and pyridinic nitrogens, changing the electronic structure of the SWCNT film to n-type doping. X-ray absorption spectroscopy revealed the localized structures of carbon and nitrogen bonding environments. The formation of a p-n junction was observed from the I-V characteristic of the N-doped SWCNT heterojunction diode, indicating n-type behavior.
Article
Chemistry, Physical
Chaithanya Kondur, Kelly A. Stephani
Summary: This study investigates the complex dynamics involved in the recombination of atomic nitrogen to form molecular nitrogen and explores the impact of a third body on the recombination dynamics. The results show that the recombination probability is highest for collisions with low translational energies and low time lags. Additionally, a novel rate coefficient expression is developed to evaluate low temperature recombination rate coefficients at a lower computational cost.
Article
Chemistry, Physical
Bingyao Wang, Zhongneng Zhou, Qin Zhang, Bo Dong, Xiu-Wen Kang, Bei Ding
Summary: In this study, two well-separated excited-state vibrational bands were observed in ethanol for indole derivatives with CN substituted on the six-membered rings (4-7CNIs) using UV/Vis pumped IR detection. A population redistribution process between the L-1(a) and L-1(b) states was observed in 4-7CNIs with a time constant of about 20 ps, driven by excitation-induced solvation relaxation. Only a single peak corresponding to the L-1(b) state was detected in 3CNI where the CN is attached on the five-membered ring.
Article
Chemistry, Physical
Ruoqi Zhang, Delu Gao, Yixuan Li, Dunyou Wang
Summary: The adsorption of CO on transition metal clusters supported by divacancy graphene has been studied, revealing that the supported clusters exhibit stronger adsorption capacity for CO due to the orbital coupling and induced electrostatic interaction.
