Quantum-to-classical modeling of monolayer Ge₂Se₂ and its application in photovoltaic devices

• Anup Shrivastava,
• Shivani Saini,
• Dolly Kumari,
• Sanjai Singh and
• Jost Adam

Beilstein J. Nanotechnol. 2024, 15, 1153–1169, doi:10.3762/bjnano.15.94

• selecting an appropriate material for absorbers/ETL, we have designed and modeled the solar cell in a FTO–TiO2–CsSn0.5Ge0.5I3–Ge2Se2–Ag configuration, which outperforms, in terms of their key parameters, other reported works in the literature. The proposed solar cell configuration is environmentally

• a HTL. The schematic of the proposed solar cell is shown in Figure 6a. The proposed structure consists of a lead-free Perovskite layer as an absorber, titanium dioxide (TiO2) as ETL, and Ge2Se2 as HTL. A 100 nm thick layer of FTO is used to encapsulate the transport and absorber layers and treated

• cost-effectiveness were also considerations to choose CsSn0.5Ge0.5I3 as an absorber layer. After selecting the absorber layer, the ETL has been chosen based on a matching conduction band offset with the absorber layer and the high electron mobility. Among the various options, TiO2 offers minimum band

Introducing third-generation periodic table descriptors for nano-qRASTR modeling of zebrafish toxicity of metal oxide nanoparticles

• Supratik Kar and
• Siyun Yang

Beilstein J. Nanotechnol. 2024, 15, 1142–1152, doi:10.3762/bjnano.15.93

• the enzyme’s activity. CeO2 has an value of 12.50 while it has a %EI value of 2.56; in contrast, TiO2 has a value of 143.76 and a %EI value of 13.28. The last descriptor in our nano-QSTR model is the atomic radius, ao. The model presents a negative coefficient for the atomic radius (−0.439

Photocatalytic methane oxidation over a TiO₂/SiNWs p–n junction catalyst at room temperature

• Qui Thanh Hoai Ta,
• Luan Minh Nguyen,
• Ngoc Hoi Nguyen,
• Phan Khanh Thinh Nguyen and
• Dai Hai Nguyen

Beilstein J. Nanotechnol. 2024, 15, 1132–1141, doi:10.3762/bjnano.15.92

• recombination of charge carriers in semiconductors is a main drawback for photocatalytic oxidative coupling of methane (OCM) reactions. Herein, we propose a novel catalyst by developing a p–n junction titania–silicon nanowires (TiO2/SiNWs) heterostructure. The structure is fabricated by atomic layer deposition

• of TiO2 on p-type SiNWs. The TiO2/SiNWs heterostructure exhibited an outstanding OCM performance under simulated solar light irradiation compared to the single components. This enhanced efficiency was attributed to the intrinsic electrical field formed between n-type TiO2 and p-type SiNWs, which

• forces generated charge carriers to move in opposite directions and suppresses charge recombination. Besides, surface morphology and optical properties of the the p–n TiO2/SiNWs catalyst are also beneficial for the photocatalytic activity. It is expected that the results of this study will provide

Recent updates in applications of nanomedicine for the treatment of hepatic fibrosis

• Damai Ria Setyawati,
• Fransiska Christydira Sekaringtyas,
• Riyona Desvy Pratiwi,
• A’liyatur Rosyidah,
• Rohimmahtunnissa Azhar,
• Nunik Gustini,
• Gita Syahputra,
• Idah Rosidah,
• Etik Mardliyati,
• Tarwadi and
• Sjaikhurrizal El Muttaqien

Beilstein J. Nanotechnol. 2024, 15, 1105–1116, doi:10.3762/bjnano.15.89

• hepato-protective effects in dimethylnitrosamine-induced liver injury, which may be due to selective toxicity to the proliferating tissue, including adenomatous islands formed in the liver [64]. Peng and co-workers successfully elucidated the hepato-protective effect of TiO2 NPs and SiO2 NPs [65]. The

• effects of TiO2 NPs, with diameters around 20 and 200 nm, and SiO2 NPs on proliferation, fibrosis, adhesion, and migration of LX-2 cells as a model of HSC activation were studied. The results show that the internalization of both TiO2 NPs and SiO2 NPs suppressed classical outcomes of cellular fibrosis

• , including the reduced expression of collagen I and alpha smooth muscle actin. These NPs also contributed to proteolytic breakdown of collagen by up-regulation of matrix metalloproteinases (MMPs) and down-regulation of tissue inhibitors of MMPs (TIMPs). TiO2 NPs also could induce enhanced leakiness and drug

Unveiling the potential of alginate-based nanomaterials in sensing technology and smart delivery applications

• Shakhzodjon Uzokboev,
• Khojimukhammad Akhmadbekov,
• Ra’no Nuritdinova,
• Salah M. Tawfik and
• Yong-Ill Lee

Beilstein J. Nanotechnol. 2024, 15, 1077–1104, doi:10.3762/bjnano.15.88

• glucose sensing [143]. Sodium alginate can be used for both enzymatic and non-enzymatic electrochemical sensors. One study showed great potential of TiO2-loaded alginate nanoparticles in sensing of glucose in artificial sweat [144]. Scientists achieved fast detection time of glucose by encapsulation of

• TiO2 nanotubes inside the alginate sensing scaffold. In this experiment, the physiological range of glucose from 10 to 1000 µM was tested using colorimetry (Figure 8). A chrono-sampling microfluidic device was used to detect the change of glucose levels over time. This new device based on alginate

Atomistic insights into the morphological dynamics of gold and platinum nanoparticles: MD simulations in vacuum and aqueous media

• Evangelos Voyiatzis,
• Eugenia Valsami-Jones and
• Antreas Afantitis

Beilstein J. Nanotechnol. 2024, 15, 995–1009, doi:10.3762/bjnano.15.81

• high heating and cooling rates compared to the experimental ones, it has been shown to yield representative structures that are in good agreement with the ones observed via X-ray diffraction for a number of nanomaterials such as CuO NPs [62], TiO2 NPs [63], as well as carbon [64] and Ag [65

• potential energy per atom at hand, we can utilize our in-house QSAR model [75] to assess qualitatively the effect of temperature and NP size on toxicity. Although the model has been trained on data for Ag, TiO2, and CuO NPs, its applicability to Au and Pt NPs is justified since Ag, Au, and Pt are pure

Recent progress on field-effect transistor-based biosensors: device perspective

• Billel Smaani,
• Fares Nafa,
• Mohamed Salah Benlatrech,
• Ismahan Mahdi,
• Hamza Akroum,
• Mohamed walid Azizi,
• Khaled Harrar and
• Sayan Kanungo

Beilstein J. Nanotechnol. 2024, 15, 977–994, doi:10.3762/bjnano.15.80

• bilayer of gold and TiO2 was used for the drain and source electrodes [112]. The body channel length is equal to 1 µm, and the cavity region thickness varied from 5 to 10 nm. It was demonstrated that BE TC OTFT is four times more sensitive compared to the metal-trench dielectric-modulated organic tunnel

Intermixing of MoS₂ and WS₂ photocatalysts toward methylene blue photodegradation

• Maryam Al Qaydi,
• Nitul S. Rajput,
• Michael Lejeune,
• Abdellatif Bouchalkha,
• Mimoun El Marssi,
• Steevy Cordette,
• Chaouki Kasmi and
• Mustapha Jouiad

Beilstein J. Nanotechnol. 2024, 15, 817–829, doi:10.3762/bjnano.15.68

• ]. Typically, semiconductor-based photocatalysts, such as TiO2, ZnO2, and some other high-bandgap transition-metal dichalcogenides (TMD) have shown their ability to efficiently degrade the activated MB by irradiation [10][11]. Recently, TMD such as MoS2 and WS2, have displayed remarkable potential as

Simultaneous electrochemical determination of uric acid and hypoxanthine at a TiO₂/graphene quantum dot-modified electrode

• Vu Ngoc Hoang,
• Dang Thi Ngoc Hoa,
• Nguyen Quang Man,
• Le Vu Truong Son,
• Le Van Thanh Son,
• Vo Thang Nguyen,
• Le Thi Hong Phong,
• Ly Hoang Diem,
• Kieu Chan Ly,
• Ho Sy Thang and
• Dinh Quang Khieu

Beilstein J. Nanotechnol. 2024, 15, 719–732, doi:10.3762/bjnano.15.60

• , Hue University, Vietnam The University of Danang, University of Science and Education, Vietnam Institute of Materials Science, Vietnam Academy of Science and Technology, Vietnam Kien Giang University, Vietnam Dong Thap University, Vietnam 10.3762/bjnano.15.60 Abstract A TiO2/graphene quantum dots

• composite (TiO2/GQDs) obtained by in situ synthesis of GQDs, derived from coffee grounds, and peroxo titanium complexes was used as electrode modifier in the simultaneous electrochemical determination of uric acid and hypoxanthine. The TiO2/GQDs material was characterized by photoluminescence, X-ray

• diffraction, Raman spectroscopy, high-resolution transmission electron microscopy, and energy-dispersive X-ray mapping. The TiO2/GQDs-GCE exhibits better electrochemical activity for uric acid and hypoxanthine than GQDs/GCE or TiO2/GCE in differential pulse voltammetry (DPV) measurements. Under optimized

On the additive artificial intelligence-based discovery of nanoparticle neurodegenerative disease drug delivery systems

• Shan He,
• Julen Segura Abarrategi,
• Harbil Bediaga,
• Sonia Arrasate and
• Humberto González-Díaz

Beilstein J. Nanotechnol. 2024, 15, 535–555, doi:10.3762/bjnano.15.47

• the type of NP. It appears that metal oxide compounds such as SiO2 and TiO2 along with PEG-Si(OMe)3NP coating for almost all NDDs are likely to be promising for further assays. Double metal oxide compounds such as CoFe2O4 and ZnFe2O4 obtained intermediate probability values p(N2D3Sin)cdj.cnj = 0.17

Aero-ZnS prepared by physical vapor transport on three-dimensional networks of sacrificial ZnO microtetrapods

• Veaceslav Ursaki,
• Tudor Braniste,
• Victor Zalamai,
• Emil Rusu,
• Vladimir Ciobanu,
• Vadim Morari,
• Daniel Podgornii,
• Pier Carlo Ricci,
• Rainer Adelung and
• Ion Tiginyanu

Beilstein J. Nanotechnol. 2024, 15, 490–499, doi:10.3762/bjnano.15.44

• metal oxides [1][9][10]. Metal oxides include TiO2, ZnO, Al2O3, WO3, Cu2O, CuO, SnO2, Fe2O3, Bi2O3, Ag3PO4, BiWO4, BiVO4, BiFeO3, and SeTiO3, while chalcogenides are represented by ZnS, ZnSe, CdS, PbS, CdSe, SnS2, and Bi2S3. Among porous semiconductor materials, recently developed super-lightweight ones

Classification and application of metal-based nanoantioxidants in medicine and healthcare

• Nguyen Nhat Nam,
• Nguyen Khoi Song Tran,
• Tan Tai Nguyen,
• Nguyen Ngoc Trai,
• Nguyen Phuong Thuy,
• Hoang Dang Khoa Do,
• Nhu Hoa Thi Tran and
• Kieu The Loan Trinh

Beilstein J. Nanotechnol. 2024, 15, 396–415, doi:10.3762/bjnano.15.36

• thyroid hormone disruption in zebrafish larvae co-exposed to tetrabromobisphenol A by promoting its bioaccumulation and bioavailability [192]. Xu et al. demonstrated that TiO2 nanoparticles can promote damage to adipose derived stromal cells at low concentrations [193]. Accordingly, the surface chemistry

Comparative electron microscopy particle sizing of TiO₂ pigments: sample preparation and measurement

• Ralf Theissmann,
• Christopher Drury,
• Markus Rohe,
• Thomas Koch,
• Jochen Winkler and
• Petr Pikal

Beilstein J. Nanotechnol. 2024, 15, 317–332, doi:10.3762/bjnano.15.29

• Germany GmbH, Dr.-Rudolf-Sachtleben-Str. 4, 47198 Duisburg, Germany Billions Europe Ltd. (LB Group), Winder House, Kingfisher Way, Stockton on Tees, TS18 3EX, United Kingdom R&D, PRECHEZA, nábř. Dr. Edvarda Beneše 1170/24, 750 02 Přerov, Czech Republic 10.3762/bjnano.15.29 Abstract Titanium dioxide (TiO2

• 100 nm boundary of the EU nanomaterial definition, but the TiO2 pigment manufacturing processes results in a finite nanoscale content fraction. This optically inefficient nanoscale fraction needs to be quantified in line with EU regulations. In this paper, we describe the measurement procedures used

• for product quality assurance by three TiO2 manufacturing companies and present number-based primary particle size distributions (PSDs) obtained in a round-robin study performed on five anatase pigments fabricated by means of sulfate processes in different plants and commonly used worldwide in food

Exploring the relationships between physiochemical properties of nanoparticles and cell damage to combat cancer growth using simple periodic table-based descriptors

• Joyita Roy and
• Kunal Roy

Beilstein J. Nanotechnol. 2024, 15, 297–309, doi:10.3762/bjnano.15.27

• process, leading to the production of more reactive oxygen species (ROS) and causing more cell damage. CoO NPs show that a high ∑χ/nO value (1.88) leads to less cell damage (−4.38), whereas a low value (∑χ/nO = 0.77) leads to more cell damage (−2.50) as observed for TiO2 NPs. The production of ROS can

Multiscale modelling of biomolecular corona formation on metallic surfaces

• Parinaz Mosaddeghi Amini,
• Ian Rouse,
• Julia Subbotina and
• Vladimir Lobaskin

Beilstein J. Nanotechnol. 2024, 15, 215–229, doi:10.3762/bjnano.15.21

• (TiO2, SiO2, and Fe2O3), carbonaceous NPs (graphene, carbon nanotubes, and carbon black), semiconductors (CdSe) [26], and polymers [27], it lacks the set of short-range potentials required for calculating milk protein-aluminum adsorption energies. Here, we compute potentials of mean force (PMF) for Al

Properties of tin oxide films grown by atomic layer deposition from tin tetraiodide and ozone

• Kristjan Kalam,
• Peeter Ritslaid,
• Tanel Käämbre,
• Aile Tamm and
• Kaupo Kukli

Beilstein J. Nanotechnol. 2023, 14, 1085–1092, doi:10.3762/bjnano.14.89

• the partial decomposition of precursor molecules during the adsorption step of the first precursor and the concurrently intensified release of ligand, that is, iodine molecules, I2. Earlier, analogous studies have been carried out on TiO2 films grown by ALD using TiI4 and O2 as precursors [21

• increasing the substrate temperature. Hence, during the purge period after the metal precursor pulse, one could record a decrement in the mass adsorbed on the surface in the present study (Figure 2), as well as in the earlier studies on TiI4-based ALD of TiO2 [21]. The decrement of the mass adsorbed during

Experimental investigation of usage of POE lubricants with Al₂O₃, graphene or CNT nanoparticles in a refrigeration compressor

• Kayhan Dağıdır and
• Kemal Bilen

Beilstein J. Nanotechnol. 2023, 14, 1041–1058, doi:10.3762/bjnano.14.86

• lubricants [2]. Sanukrishna and Prakash [3] experimentally investigated the thermophysical properties of a nanolubricant containing TiO2 nanoparticles for volume fractions of 0.07 to 0.8% in a temperature range of 20 to 90 °C. The results showed that the thermal conductivity and viscosity of the

Prediction of cytotoxicity of heavy metals adsorbed on nano-TiO₂ with periodic table descriptors using machine learning approaches

• Joyita Roy,
• Souvik Pore and
• Kunal Roy

Beilstein J. Nanotechnol. 2023, 14, 939–950, doi:10.3762/bjnano.14.77

• metals, upon release and emission, may interact with different environmental components, which may lead to co-exposure to living organisms. Nanoscale titanium dioxide (nano-TiO2) can adsorb heavy metals. The current idea is that nanoparticles (NPs) may act as carriers and facilitate the entry of heavy

• metals into organisms. Thus, the present study reports nanoscale quantitative structure–activity relationship (nano-QSAR) models, which are based on an ensemble learning approach, for predicting the cytotoxicity of heavy metals adsorbed on nano-TiO2 to human renal cortex proximal tubule epithelial (HK-2

• have been used in different industries, and the market is developing rapidly [2]. According to a recent analysis, approximately 1300 consumer products containing NPs were marketed in 2012. As a common metal oxide nanoparticle material, nanoscale titanium dioxide (nano-TiO2) has been evaluated for

Nanomaterials for photocatalysis and applications in environmental remediation and renewable energy

• Viet Van Pham and
• Wee-Jun Ong

Beilstein J. Nanotechnol. 2023, 14, 722–724, doi:10.3762/bjnano.14.58

• ]. Semiconducting photocatalyst nanomaterials, such as SnO2, TiO2, MoS2, g-C3N4, and Bi-nanostructures have been proven efficient for a range of applications, including organic pollutant removal, NOx degradation, renewable energy production, and waste-to-energy conversion [15][17][18]. Figure 1 shows a general

• development of advanced materials based on semiconductors (i.e., carbon-modified hexagonal boron nitride (MBN), MgO@g-C3N4, and TiO2@MWCNTs) have indicated a highly efficient photocatalytic performance for phenol removal using a low-power visible LED light source. For NO degradation, a visible light source

Titania nanoparticles for photocatalytic degradation of ethanol under simulated solar light

• Evghenii Goncearenco,
• Iuliana P. Morjan,
• Claudiu Teodor Fleaca,
• Florian Dumitrache,
• Elena Dutu,
• Monica Scarisoreanu,
• Valentin Serban Teodorescu,
• Alexandra Sandulescu,
• Crina Anastasescu and
• Ioan Balint

Beilstein J. Nanotechnol. 2023, 14, 616–630, doi:10.3762/bjnano.14.51

• -Magurele, Romania National Institute of Materials Physics, Atomistilor Str., No. 405A, 077125, Bucharest-Magurele, Romania Romanian Academy, Inst. Phys. Chem. Ilie Murgulescu, 202 Spl. Independentei, 060021, Bucharest, Romania 10.3762/bjnano.14.51 Abstract TiO2 nanoparticles were synthesized by laser

• transmission electron microscopy. Also, specific surface area and photoluminescence with optical absorbance were evaluated. By varying the synthesis parameters (especially the working pressure), different TiO2 nanopowders were obtained, whose photodegradation properties were tested compared to a commercial

• Degussa P25 sample. Two series of samples were obtained. Series “a” includes thermally treated TiO2 nanoparticles (to remove impurities) that have different proportions of the anatase phase (41.12–90.74%) mixed with rutile and small crystallite sizes of 11–22 nm. Series “b” series represents nanoparticles

Plasmonic nanotechnology for photothermal applications – an evaluation

• A. R. Indhu,
• L. Keerthana and
• Gnanaprakash Dharmalingam

Beilstein J. Nanotechnol. 2023, 14, 380–419, doi:10.3762/bjnano.14.33

Overview of mechanism and consequences of endothelial leakiness caused by metal and polymeric nanoparticles

• Magdalena Lasak and
• Karol Ciepluch

Beilstein J. Nanotechnol. 2023, 14, 329–338, doi:10.3762/bjnano.14.28

• the transcellular pathway. NanoEL is a mechanism completely independent of receptors and tumor physiology [12][18][19][21][23]. This effect has been observed for various types of NPs including Au [12][21][33][34], Ag [23], Si [20], TiO2 [18][19][23], and SiO2 [23]. Additionally, NanoEL is responsible

• of tumors may also contribute to faster intravasation and extravasation of cancer cells, which has been confirmed in both in vitro and in vivo studies. Peng et al. demonstrated that the exposure of breast cancer cells to TiO2, SiO2, and Au NPs significantly accelerates the intravasation and

• physicochemical properties of NPs, one must also understand the mechanism behind NanoEL. The crucial molecular target of NPs was confirmed to be VE-cad, a protein essential for maintaining the structural and functional integrity of the endothelium [40]. As reported by Setyawati et al., TiO2 NPs disrupt homophilic

Bismuth-based nanostructured photocatalysts for the remediation of antibiotics and organic dyes

• Akeem Adeyemi Oladipo and
• Faisal Suleiman Mustafa

Beilstein J. Nanotechnol. 2023, 14, 291–321, doi:10.3762/bjnano.14.26

• of the most prominent study topics compared to the commonly used semiconductors (TiO2 and ZnO). In this review, the most recent developments in the use of photocatalysts based on bismuth (e.g., BiFeO3, Bi2MoO6, BiVO4, Bi2WO6, Bi2S3) to remove dyes and antibiotics from wastewater are thoroughly

• : TiO2, CuO, CdS, MoO3; ternary compounds: Bi2Mo3O12, ZnFe2O4; quaternary compounds: Ni0.5Zn0.5Fe2O4, Bi4NbxTa1−xO8I) [19][20][21][22][23][24][25][26]. Because of its distinct features, TiO2 is the most extensively investigated photocatalytic semiconductor. However, it barely absorbs 4–5% of the

• ultraviolet light in the solar spectrum due to its broad bandgap of 3.2 eV, which limits the use of visible light. Because of this, the potential photocatalytic use of TiO2 is constrained and the photocatalytic effectiveness is reduced [19][20][25]. Table 1 compares some of the salient characteristics of some

A novel approach to pulsed laser deposition of platinum catalyst on carbon particles for use in polymer electrolyte membrane fuel cells

• Bogusław Budner,
• Wojciech Tokarz,
• Sławomir Dyjak,
• Andrzej Czerwiński,
• Bartosz Bartosewicz and
• Bartłomiej Jankiewicz

Beilstein J. Nanotechnol. 2023, 14, 190–204, doi:10.3762/bjnano.14.19

• [12][13][14]. Recently, nanoarchitectonics approaches have been used to fabricate various materials for energy-related applications, including carbon-based composites [15][16], Pt-based nanostructures and composites with carbon materials [17][18][19], and metal alloys deposited on TiO2 [20]. The most

Photoelectrochemical water oxidation over TiO₂ nanotubes modified with MoS₂ and g-C₃N₄

• Phuong Hoang Nguyen,
• Thi Minh Cao,
• Tho Truong Nguyen,
• Hien Duy Tong and
• Viet Van Pham

Beilstein J. Nanotechnol. 2022, 13, 1541–1550, doi:10.3762/bjnano.13.127

• Province, Vietnam 10.3762/bjnano.13.127 Abstract TiO2 nanotube arrays (TNAs) have been studied for photoelectrochemical (PEC) water splitting. However, there are two major barriers of TNAs, including a low photo-response and the fast charge carrier recombination in TNAs, leading to poor photocatalytic

• . The stability of the MoS2/TNAs heterojunction is higher than that of g-C3N4/TNAs. Keywords: band structure; g-C3N4/TiO2; MoS2/TiO2; photoelectrochemical; water splitting; Introduction Hydrogen energy has become a target pursued in the energy development strategies of many countries and regions

• semiconductors, TiO2 nanotube arrays (TNAs) of 2–100 nm in diameter and 1–2 μm in length, are often used for efficient PEC applications exploiting advantages such as chemical stability, less toxicity and suitable cost [18][19][20][21]. However, there are two disadvantages affecting directly their photocatalytic