Facile synthesis of size-tunable L-carnosine-capped silver nanoparticles and their role in metal ion sensing and catalytic degradation of p-nitrophenol

• Akash Kumar,
• Ridhima Chadha,
• Abhishek Das,
• Nandita Maiti and
• Rayavarapu Raja Gopal

Beilstein J. Nanotechnol. 2024, 15, 1576–1592, doi:10.3762/bjnano.15.124

• (Nano ZS, Malvern, UK). The hydrodynamic size of ʟ-car-AgNPs was measured by placing them in 1 mL disposable cuvettes (DTS0012), while the zeta potential was measured using zeta cuvettes (ZEN1020). The ʟ-car-AgNPs samples were observed under a transmission electron microscope (TEM, 120 kV, FEI Tecnai

• peaks in FTIR suggested that carboxyl is the exposed functional group. Based on the earlier reports, free –NH2 and carboxyl groups are believed to participate in cross-linking and forming complexes between ʟ-car-AgNP1 and Cd2+/Pb2+ ions. The Cd2+ and Pb2+ ions interact with lone electron pairs of these

• nanoparticle surface, followed by the electron transfer from NaBH4 to the adsorbed P-NP molecules facilitated by the AgNPs. The obtained rate constants indicate that ʟ-carnosine-capped AgNPs are comparable to or more efficient than other noble metal nanoparticles (Table 2), underscoring their potential as cost

Ultrablack color in velvet ant cuticle

• Vinicius Marques Lopez,
• Wencke Krings,
• Juliana Reis Machado,
• Stanislav Gorb and
• Rhainer Guillermo-Ferreira

Beilstein J. Nanotechnol. 2024, 15, 1554–1565, doi:10.3762/bjnano.15.122

• of the ultrablack cuticle in Traumatomutilla bifurca, an enigmatic and visually striking species of velvet ants (Hymenoptera, Mutillidae). Using a combination of scanning electron microscopy (SEM), transmission electron microscopy (TEM), confocal laser scanning microscopy (CLSM), and optical

• sunlight (personal observations). For subsequent analyses, we utilized female specimens collected from Caatinga regions in Pernambuco, Brazil (09°19’44.2’’S, 42°33’30’’W) in February 2022. The specimens were preserved in absolute alcohol. Scanning electron microscopy (SEM) To investigate the internal

• different magnifications, starting at 15,000× and adjusted as needed. Transmission electron microscopy (TEM) TEM was utilized to examine the internal cuticle morphology at high resolution at a nanometer scale. The apparatus was configured to operate at 50 kV with a minimum vacuum column pressure of 5.10

The round-robin approach applied to nanoinformatics: consensus prediction of nanomaterials zeta potential

• Dimitra-Danai Varsou,
• Arkaprava Banerjee,
• Joyita Roy,
• Kunal Roy,
• Giannis Savvas,
• Haralambos Sarimveis,
• Ewelina Wyrzykowska,
• Mateusz Balicki,
• Tomasz Puzyn,
• Georgia Melagraki,
• Iseult Lynch and
• Antreas Afantitis

Beilstein J. Nanotechnol. 2024, 15, 1536–1553, doi:10.3762/bjnano.15.121

• descriptors) were obtained after Stepwise Selection, GA, and BSS. These are Hamaker (self/water), amount of Ce, amount of Zr, rod (shape), coating, the total number of atoms, tot_metal_alpha, Metals_SumIP, X_ActivM, and Valence electron potential. Additionally, we performed a correlation analysis of the

Electrochemical nanostructured CuBTC/FeBTC MOF composite sensor for enrofloxacin detection

• Thi Kim Ngan Nguyen,
• Tien Dat Doan,
• Huy Hieu Luu,
• Hoang Anh Nguyen,
• Thi Thu Ha Vu,
• Quang Hai Tran,
• Ha Tran Nguyen,
• Thanh Binh Dang,
• Thi Hai Yen Pham and
• Mai Ha Hoang

Beilstein J. Nanotechnol. 2024, 15, 1522–1535, doi:10.3762/bjnano.15.120

• sensors has some limitations associated with the low conductivity of MOFs. Therefore, the coupling with conducting materials, such as carbon-based materials, metal nanoparticles, and polymers, has been performed to enhance the electron charge transfer of MOFs [23][24]; single MOFs combined with carbon

• capacity, and an acceptable efficacy of the electron transfer, Cu3(BTC)2 exhibited a good sensitivity to 2,4-dichlorophenol in the range from 0.04 to 1.00 μM with a limit of detection (LOD) of 9 nM in differential pulse voltammetry measurements. Moreover, the combination of metal oxides and MOFs showed better

• electrochemical detection ability than pristine MOFs. For example, Wang et al. developed a MOF/TiO2 composite to quantify chlorogenic acid in a range from 0.01 to 1.00 μM with a low LOD of 7 nM [30]. Utilizing carbon-based materials can provide not only enhanced electron transfer but also catalytic functions for

Effect of radiation-induced vacancy saturation on the first-order phase transformation in nanoparticles: insights from a model

• Aram Shirinyan and
• Yuriy Bilogorodskyy

Beilstein J. Nanotechnol. 2024, 15, 1453–1472, doi:10.3762/bjnano.15.117

• based on the fact that the movement of dislocations is impeded by particle surfaces (grain boundaries) quite rapidly. For example, a transmission electron microscopy study (irradiation with Kr ions at 1 MeV at room temperature and an average defect generation rate of about 2 × 10−3 dpa·s−1) showed that

• film through in situ ion irradiation, observed using atomic-resolution transmission electron microscopy [16]. The gold sample was irradiated with 2.8 MeV Au4+ ions at 200 °C with a fluence of approximately 1014 ions·cm−2 (equivalent to a dose of 10 dpa). A combination of surface- and radiation-induced

• et al. used transmission electron microscopy to investigate nanoscale Pd under 240 keV Kr ion irradiation with a flux of 1013 ions·cm−2·s−1. Pd had grain sizes, d, ranging from 10 to 100 nm. The authors found that the defect density increases with increasing grain size d, and the slope between defect

Ion-induced surface reactions and deposition from Pt(CO)₂Cl₂ and Pt(CO)₂Br₂

• Mohammed K. Abdel-Rahman,
• Patrick M. Eckhert,
• Atul Chaudhary,
• Johnathon M. Johnson,
• Jo-Chi Yu,
• Lisa McElwee-White and
• D. Howard Fairbrother

Beilstein J. Nanotechnol. 2024, 15, 1427–1439, doi:10.3762/bjnano.15.115

• Focused ion beam-induced deposition (FIBID) and focused electron beam-induced deposition (FEBID) are vacuum-based, charged-particle bottom-up nanofabrication techniques that directly fabricate metal containing nanostructures as a consequence of the reactions between ions or electrons and organometallic

• largely avoided by using noble gas ions like He+ [32][35] or Ar+ [21], which are commonly used in helium ion microscopes and focused ion beam milling instruments. In FIBID, ion-induced interactions can initiate a complex mixture of different processes including ion-induced deposition, secondary electron

• the metal of interest. Furthermore, as the volatile species escape the system, they can collide with adsorbed material leading to a cascade of momentum transfer events [43]. In contrast to FIBID, FEBID occurs via different electron stimulated mechanisms, namely, dissociative electron attachment (DEA

Lithium niobate on insulator: an emerging nanophotonic crystal for optimized light control

• Midhun Murali,
• Amit Banerjee and
• Tanmoy Basu

Beilstein J. Nanotechnol. 2024, 15, 1415–1426, doi:10.3762/bjnano.15.114

• manipulate the transmission of light modes, similar to how nanostructures have been utilized to regulate electron-related phenomena. Here we study the optical performance of a one-dimensional stacked photonic crystal based on LN and TiO2/SiO2. We studied the quarter wavelength multi-layered stack using

Various CVD-grown ZnO nanostructures for nanodevices and interdisciplinary applications

• The-Long Phan,
• Le Viet Cuong,
• Vu Dinh Lam and
• Ngoc Toan Dang

Beilstein J. Nanotechnol. 2024, 15, 1390–1399, doi:10.3762/bjnano.15.112

• results prove that ZnO exhibits many novel nanostructures that can foster the development of next-generation optoelectronic nanodevices and new applications in biological and biomedical fields. Keywords: chemical vapour deposition; electron microscopy; Raman and photoluminescent spectra; ZnO

• down to collect white products formed on Si substrates. They were characterized by scanning electron microscopy (SEM, JEOL-6330F) and energy-dispersive X-ray (EDX) spectroscopy. Renishaw’s RS and PL spectrometers operating with laser wavelengths of 488 and 325 nm were also employed to study phonon

• at temperatures of T = 630–640 °C. Their length is several to tens of micrometres and the diameter of the teeth is about 50 nm, as shown in Figure 6a–c. As partially shown in [37], electron diffraction analyses indicated all combs to be single crystals. For single-sided tooth combs, named C1 in

A biomimetic approach towards a universal slippery liquid infused surface coating

• Ryan A. Faase,
• Madeleine H. Hummel,
• AnneMarie V. Hasbrook,
• Andrew P. Carpenter and
• Joe E. Baio

Beilstein J. Nanotechnol. 2024, 15, 1376–1389, doi:10.3762/bjnano.15.111

• wavenumber range of 1100–1800 cm−1. The spectra were then normalized by dividing the signal by the visible and infrared intensities. X-ray photoelectron spectroscopy Spectra were collected on a PHI 5600 system with a hemispherical analyzer and a monochromatic Al Kα (1486.6 eV) X-ray source with an electron

• 2.5% glutaraldehyde in 0.1 M sodium cacodylate buffer overnight. Samples were then rinsed twice in 0.1 M cacodylate buffer for 15 min each. Samples were dehydrated in a graded series of ethanol (10%, 30%, 50%, 70%, 90%, 95%, and 100%) for 10–15 min each, followed by critical point drying (Electron

• Microscopy Sciences). Samples were sputter-coated with gold/palladium (Cressington 108A) and imaged on a scanning electron microscope (SEM) (FEI Quanta 600F). ImageJ was used to measure fiber diameter and clot density. Clot density was determined by drawing a line through the image and counting the number of

Green synthesis of carbon dot structures from Rheum Ribes and Schottky diode fabrication

• Muhammed Taha Durmus and
• Ebru Bozkurt

Beilstein J. Nanotechnol. 2024, 15, 1369–1375, doi:10.3762/bjnano.15.110

• Cary Eclipse fluorescence spectrophotometer were used for transmission electron microscopy (TEM), zeta potential measurements, X-ray diffractometry (XRD), Fourier-transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), micro-Raman spectroscopy, PVD thermal evaporation, scanning

• electron microscopy (SEM), I–V/C–V measurements, UV–vis spectroscopy, and steady-state fluorescence spectroscopy, respectively. CDs synthesis 2.5 g of the powdered Rheum ribes plant was placed in an autoclave bottle, and 50 mL of pure water was added to the bottle. This aqueous solution was placed in an

Out-of-plane polarization induces a picosecond photoresponse in rhombohedral stacked bilayer WSe₂

• Guixian Liu,
• Yufan Wang,
• Zhoujuan Xu,
• Zhouxiaosong Zeng,
• Lanyu Huang,
• Cuihuan Ge and
• Xiao Wang

Beilstein J. Nanotechnol. 2024, 15, 1362–1368, doi:10.3762/bjnano.15.109

• . To enrich the basic characterizations of WSe2, we conducted Raman spectroscopy and scanning electron microscopy (SEM) measurements (Supporting Information File 1, Note 5). The broken symmetry leads to an asymmetric distribution of photogenerated carriers, resulting in a non-zero photocurrent even

• monolayers of WSe2 were aligned at a 0° angle to form the 3R phase. The graphene/3R WSe2/graphene heterojunctions were aligned and assembled onto a SiO2/Si substrate by the all-dry transfer method. Au/Cr (50/10 nm) electrodes were patterned using standard electron-beam lithography (EBL, Raith 150 Two) and

Investigation of Hf/Ti bilayers for the development of transition-edge sensor microcalorimeters

• Victoria Y. Safonova,
• Anna V. Gordeeva,
• Anton V. Blagodatkin,
• Dmitry A. Pimanov,
• Anton A. Yablokov and
• Andrey L. Pankratov

Beilstein J. Nanotechnol. 2024, 15, 1353–1361, doi:10.3762/bjnano.15.108

• samples with bridges of different shapes and lengths were fabricated simultaneously in an electron beam evaporator at a vacuum of 5 × 10−8 Torr. The sample with the film was made separately but with the same parameters, including the thickness and evaporation rates. On the bridged samples

• , photolithography was performed on a Karl Suss MJB3 lithography aligner before deposition. We used AZ5214E photoresist, which was subsequently developed with MIF726. We then deposited 85 nm of hafnium and 5 nm of titanium onto the substrates through developed areas in the resist, using an electron beam evaporator

• × 10−10 W/K, calculated for the electron–phonon constant of 0.8 nW/K6/μm3, and the sixth degree of temperature according to [22]. Figure 7 shows the ampere–watt sensitivity and noise characteristics of the TES with above parameters for sample A4. The maximum current response is observed at frequencies

Hymenoptera and biomimetic surfaces: insights and innovations

• Vinicius Marques Lopez,
• Carlo Polidori and
• Rhainer Guillermo Ferreira

Beilstein J. Nanotechnol. 2024, 15, 1333–1352, doi:10.3762/bjnano.15.107

Nanoarchitectonics with cetrimonium bromide on metal nanoparticles for linker-free detection of toxic metal ions and catalytic degradation of 4-nitrophenol

• Akash Kumar and
• Raja Gopal Rayavarapu

Beilstein J. Nanotechnol. 2024, 15, 1312–1332, doi:10.3762/bjnano.15.106

• anisotropic metal nanoparticles using zeta cuvettes (DTS0012). The precise size and morphology of CTAB-AgNS, CTAB-AuNS, CTAB-AuNR1, and CTAB-AuNR2 were observed under a transmission electron microscope (TEM, 120 kV; FEI Tecnai). The nanoparticles were placed onto 200-mesh carbon-coated copper grids. The

• two minor peaks at 55.04° and 73.14°, which correspond to the (220) and (311) planes; these were also observed in other studies with CTAB-capped silver nanoparticles [44]. These peaks might be related to the formation of AgO in the nanoparticles, which is reported elsewhere [44]. Transmission electron

Interaction of graphene oxide with tannic acid: computational modeling and toxicity mitigation in C. elegans

• Romana Petry,
• James M. de Almeida,
• Francine Côa,
• Felipe Crasto de Lima,
• Diego Stéfani T. Martinez and
• Adalberto Fazzio

Beilstein J. Nanotechnol. 2024, 15, 1297–1311, doi:10.3762/bjnano.15.105

• ][50][80][81][82], analyzing differences in electron density when an electron is removed (Equation 1) or added (Equation 2) to the molecule: where the electron densities ρ(Ne), ρ(Ne − 1), and ρ(Ne + 1) correspond to systems with Ne, Ne − 1, and Ne + 1 electrons, respectively. Biological assays Initial

Mn-doped ZnO nanopowders prepared by sol–gel and microwave-assisted sol–gel methods and their photocatalytic properties

• Cristina Maria Vlăduț,
• Crina Anastasescu,
• Silviu Preda,
• Oana Catalina Mocioiu,
• Simona Petrescu,
• Jeanina Pandele-Cusu,
• Dana Culita,
• Veronica Bratan,
• Ioan Balint and
• Maria Zaharescu

Beilstein J. Nanotechnol. 2024, 15, 1283–1296, doi:10.3762/bjnano.15.104

• samples were thermally treated at 350 °C and 500 °C for 1 h each. Scanning electron microscopy The morphology and chemical composition (inset) of the thermally treated samples is illustrated in Figure 4. Homogeneously distributed, quasi-spherical nanoparticles (mean size diameter of 70 nm) are observed in

• and MW ZnO samples, with larger Eg values than those of the manganese-doped samples. Photoluminescence Photoluminescence (PL) measurements are usually used to describe the radiative recombinations of electron–hole pairs in semiconductors exposed to light irradiation. A high PL signal measured for a

• catalysts. This observation can be correlated to the ability of the SG material to produce O2− by electron trapping. In contrast, the ·OH generation in the presence of the MW catalyst could explain the higher formation rate of CO2 from the beginning of the photocatalytic process because of the high

New design of operational MEMS bridges for measurements of properties of FEBID-based nanostructures

• Bartosz Pruchnik,
• Krzysztof Kwoka,
• Ewelina Gacka,
• Dominik Badura,
• Piotr Kunicki,
• Andrzej Sierakowski,
• Paweł Janus,
• Tomasz Piasecki and
• Teodor Gotszalk

Beilstein J. Nanotechnol. 2024, 15, 1273–1282, doi:10.3762/bjnano.15.103

• Photonics, Łukasiewicz Research Network, Lotników 32/46, 02-668, Warsaw, Poland 10.3762/bjnano.15.103 Abstract Focused electron beam-induced deposition (FEBID) is a novel technique for the development of multimaterial nanostructures. More importantly, it is applicable to the fabrication of free-standing

• surface or reduced capacitance) are brought by volumetric, self-standing electronic nanostructures, which provide an experimental basis for their own properties and can serve as building blocks for nanoscale devices, in which phenomena such as giant piezoresistivity, single-electron tunnelling, or field

• emission occur [3][4][5]. There are only a few processes with resolution and repeatability suitable for creating nanostructures, and even fewer are available for self-standing nanostructures. That includes epitaxial techniques as well as focused electron beam-induced deposition (FEBID) [6][7]. Integration

Functional morphology of cleaning devices in the damselfly Ischnura elegans (Odonata, Coenagrionidae)

• Silvana Piersanti,
• Gianandrea Salerno,
• Wencke Krings,
• Stanislav Gorb and
• Manuela Rebora

Beilstein J. Nanotechnol. 2024, 15, 1260–1272, doi:10.3762/bjnano.15.102

• , situated on the foreleg tibiae, were observed using scanning electron microscopy, and the presence and distribution of resilin, an elastomeric protein that enhances cuticle flexibility, were analyzed using confocal laser scanning microscopy. Eye and antennal grooming behavior were analyzed to evaluate the

• used to clean the head and, especially, the eyes and the antennae. The microstructures were observed using scanning electron microscopy (SEM), and the presence and distribution of resilin, an elastomeric protein that enhances cuticle deformability and flexibility (review in [36]), were analyzed using

• % glutaraldehyde in sodium cacodylate buffer (Electron Microscopy Sciences, Hatfield, PA, USA) with a pH of 7.2, repeatedly rinsed in sodium cacodylate buffer and post-fixed for 1 h at 4 °C in 1% osmium tetroxide in sodium cacodylate buffer (Electron Microscopy Sciences). Fixed samples were repeatedly rinsed in

Dual-functionalized architecture enables stable and tumor cell-specific SiO₂NPs in complex biological fluids

• Iris Renata Sousa Ribeiro,
• Raquel Frenedoso da Silva,
• Romênia Ramos Domingues,
• Adriana Franco Paes Leme and
• Mateus Borba Cardoso

Beilstein J. Nanotechnol. 2024, 15, 1238–1252, doi:10.3762/bjnano.15.100

• ), SiO2NPs-ZW-NH2 (with ZW + APTES), and SiO2NPs-ZW-FO (with ZW + APTES + folate). Characterization of SiO2NPs Scanning electron microscopy (SEM) micrographs were obtained in a high-resolution FEI Inspect F50 microscope. A NP suspension (7 μL) was deposited directly onto a copper substrate, dried, and

• sputter-coated with Au using a Bal-Tec SCD050 Sputter Coater. Secondary electrons were collected after backscattering of the Au-coated samples attained by electron beams with a 5 kV acceleration voltage. The particle hydrodynamic diameter and zeta potential were evaluated on a Malvern Zetasizer ZS

Enhanced catalytic reduction through in situ synthesized gold nanoparticles embedded in glucosamine/alginate nanocomposites

• Chi-Hien Dang,
• Le-Kim-Thuy Nguyen,
• Minh-Trong Tran,
• Van-Dung Le,
• Nguyen Minh Ty,
• T. Ngoc Han Pham,
• Hieu Vu-Quang,
• Tran Thi Kim Chi,
• Tran Thi Huong Giang,
• Nguyen Thi Thanh Tu and
• Thanh-Danh Nguyen

Beilstein J. Nanotechnol. 2024, 15, 1227–1237, doi:10.3762/bjnano.15.99

• a Bruker Tensor 27 FTIR spectrophotometer, which scanned wavelengths from 500 to 4000 cm−1. KBr pellets were used for the measurements. For morphological investigations of the nanocomposites, scanning electron microscopy (SEM) was performed using a SEM-S4800 instrument; transmission electron

• microscopy (TEM) and selected area electron diffraction (SAED) were carried out using a JEOL JEM-2100 instrument. Crystal structure characterizations of AuNPs were carried out via XRD diffraction. Zeta potential and dynamic light scattering (DLS) measurements were carried out on gel solutions (1.0 mg·mL−1

• mechanism involves the transfer of electrons from BH4− (the electron donor) to the dye (the electron acceptor) facilitated by the surface of the metal nanoparticles [42][43]. Prior to electron transfer, dye and BH4− are adsorbed onto the catalyst surface, as depicted in Figure 5. Consequently, the

A low-kiloelectronvolt focused ion beam strategy for processing low-thermal-conductance materials with nanoampere currents

• Annalena Wolff,
• Nico Klingner,
• William Thompson,
• Yinghong Zhou,
• Jinying Lin and
• Yin Xiao

Beilstein J. Nanotechnol. 2024, 15, 1197–1207, doi:10.3762/bjnano.15.97

• milling speed but reduced heat damage. Keywords: biological sample; COMSOL; focused ion beam; forward time–centered space (FTCS); heat damage; SRIM; Introduction FIB-SEMs combine a scanning electron microscope (SEM) and a focused ion beam (FIB) in a single instrument and are increasingly used to prepare

• light interactions with biological tissue [18] as well as focused electron beam-induced deposition (FEBID) [19]. The general approach to assess the beam-induced heat damage and undesired artifacts, regardless if working with ions [17], photons [18], or electrons [19], compares experiments to models

• based on heat transfer and to Monte Carlo or finite element simulations [17][18][19]. Open source programs that assess heat deposition and diffusion are readily available to assess damage in light–tissue interactions [18]. For electron beams, multidimensional models predicting electron beam-induced

Synthesis, characterization and anticancer effect of doxorubicin-loaded dual stimuli-responsive smart nanopolymers

• Ömür Acet,
• Pavel Kirsanov,
• Burcu Önal Acet,
• Inessa Halets-Bui,
• Dzmitry Shcharbin,
• Şeyda Ceylan Cömert and
• Mehmet Odabaşı

Beilstein J. Nanotechnol. 2024, 15, 1189–1196, doi:10.3762/bjnano.15.96

• . Characterizations of the synthesized nanostructures were carried out including zeta potential measurements, Fourier-transform infrared spectroscopy, and scanning electron microscopy. The loading capacity of the nanopolymers for DOX was investigated, and encapsulation and release studies were carried out. In a final

• . Scanning electron microscopy (SEM, Leo 440) was utilized for morphological characterizations of the SNPs; lyophilized SNPs were coated with gold, and the samples were placed in the SEM. The zeta potential the of DOX-SNPs was measured by using a Nano Zetasizer (NanoS, Malvern Instruments, London, UK

AI-assisted models to predict chemotherapy drugs modified with C₆₀ fullerene derivatives

• Jonathan-Siu-Loong Robles-Hernández,
• Dora Iliana Medina,
• Katerin Aguirre-Hurtado,
• Marlene Bosquez,
• Roberto Salcedo and
• Alan Miralrio

Beilstein J. Nanotechnol. 2024, 15, 1170–1188, doi:10.3762/bjnano.15.95

• ionization energy (I) and electron affinity (A). According to Koopmans’ theorem, both can be approximated by I = −EHOMO and A = −ELUMO, where EHOMO is the energy of the highest occupied molecular orbital (HOMO), and ELUMO is the energy of the lowest unoccupied molecular orbital (LUMO). It is advantageous to

• obtaining an additional electron. Methods First, 42 drugs related to chemotherapy treatments for breast cancer were proposed. Although the most notable fullerene derivatives for biological applications are those with several hydrophilic groups, the carboxylic acid derivative C60–COOH has been studied as

• quantitative descriptors. As an alternative to the most robust but computationally more expensive density functional theory (DFT) method, DFTB was used. A reference electron density ρ0 represents the sum of the neutral atomic densities [40]. Within the third-order approach DFTB3, the ground state density ρ(r

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

• various layers including the active/absorber layers, the electron transport layer (ETL) and the hole transport layer (HTL) [12][13]. Both HTL and ETL play a crucial role in achieving a high performance of PV devices. The most common HTL material is spiro-OMeTAD, but it is very expensive [14]. Furthermore

• ), conduction/valence band density of states, electron/hole mobility, electron affinity, and work function can be derived from the initial band energy calculation. We calculated the effective masses of electrons and holes as = 0.167me and = 0.1768me, respectively, which are very close to the values ( = 0.17me

• , and = 0.17328me) reported in the literature [46][47]. With that, we estimated the effective DOS values in the CB and the VB to be 0.1732 × 1019 /cm3 and 0.1887 × 1019 /cm3, respectively. The electron and hole thermal velocities for monolayer Ge2Se2 were estimated as 9.43 × 105 m/s and 2.668 × 105 m/s

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

• five more periodic table descriptors, termed third-generation periodic table descriptors. These are atomic radius, crystal ionic radii, density of the metal, electron affinity, and ionization energy. The atomic radius is a fundamental property that influences many physical and chemical characteristics

• behavior in different oxidation states. This is particularly relevant in nanoparticle chemistry, where redox reactions are common. The density of a metal is a macroscopic property that influences the mass and volume of nanoparticles. Electron affinity measures the energy change when an electron is added to

• a neutral atom, reflecting the tendency of the metal to gain electrons. The first ionization energy is the energy required to remove the outermost electron from a neutral atom, which is a critical factor in determining the metal’s reactivity and stability. For the present study, descriptors of all