Final Project E. Anisimova

50 Theoretical material science; numerical simulation of new compounds and prediction of their properties. terms

abundant: adjective; more than enough; Example: Similarly, insights into the activity−stability relationships of cost-effective and earth-abundant materials have just begun to provide new design rules for advanced alkaline-based electrolyzers. Lopes, Pietro P., Dong Young Chung, Xue Rui, Hong Zheng, Haiying He, Pedro Farinazzo Bergamo Dias Martins, Dusan Strmcnik et al. "Dynamically stable active sites from surface evolution of perovskite materials during the oxygen evolution reaction." Journal of the American Chemical Society 143, no. 7 (2021): 2741-2750.; en: обильный, избыточный
annealing: to make metal or glass soft by heating and then cooling it slowly; Example: Confirmation of the role of O-vac comes from additional experiments designed to induce O-vac in the LSCO particle after a prestep of thermal annealing in vacuum. Lopes, Pietro P., Dong Young Chung, Xue Rui, Hong Zheng, Haiying He, Pedro Farinazzo Bergamo Dias Martins, Dusan Strmcnik et al. "Dynamically stable active sites from surface evolution of perovskite materials during the oxygen evolution reaction." Journal of the American Chemical Society 143, no. 7 (2021): 2741-2750.; en: отжиг
apical: Apical (anatomy), an anatomical term of location for features located opposite the base of an organism or structure. Apical (chemistry), a position in certain molecular geometries in chemistry.; Example: Interstitial oxygen ions largely contribute to the conduction of charge carriers via the rapid diffusion mechanism along the apical positions of NiO6 corner sharing octahedra in the perovskite layers. Akbay, Taner, Aleksandar Staykov, John Druce, Helena Téllez, Tatsumi Ishihara, and John A. Kilner. "The interaction of molecular oxygen on LaO terminated surfaces of La 2 NiO 4." Journal of Materials Chemistry A 4, no. 34 (2016): 13113-13124.; en: вершинный, апикальный
aqueous: like or containing water; Example: Additional DFT results, discussed in detail in Figures S11−S13, indicate a weak interaction between Fe aqueous species and LSCO surfaces with an interaction energy of −0.55 eV, while Fe-CoOxHy interaction is much stronger, approximately −1.4 eV, with charge transfer to the underlying CoOOH or LSCO of−about 0.13e to the adsorbed Fe complex according to Bader charge analysis. Lopes, Pietro P., Dong Young Chung, Xue Rui, Hong Zheng, Haiying He, Pedro Farinazzo Bergamo Dias Martins, Dusan Strmcnik et al. "Dynamically stable active sites from surface evolution of perovskite materials during the oxygen evolution reaction." Journal of the American Chemical Society 143, no. 7 (2021): 2741-2750.; en: Водный, водянистый
Bragg reflection: Bragg diffraction occurs when radiation of wavelength λ comparable to atomic spacings, is scattered in a specular fashion (mirror-like reflection) by the atoms of a crystalline system, and undergoes constructive interference.; Example: The final refinement included 413 Fmmm Bragg reflections extending over d spacings from 0 0.52 to 3.18 A Jorgensen, J. D., B. Dabrowski, Shiyou Pei, D. R. Richards, and D. G. Hinks. "Structure of the interstitial oxygen defect in La 2 NiO 4+ δ." Physical Review B 40, no. 4 (1989): 2187.; en: Брэгговское отражение
Buckingham potential: In theoretical chemistry, the Buckingham potential is a formula proposed by Richard Buckingham which describes the Pauli exclusion principle and van der Waals energy for the interaction of two atoms that are not directly bonded as a function of the interatomic distance.; Example: The Coulombic interaction is supplemented with a Buckingham potential to account for the short-range repulsion between neighbouring electron charge clouds and the van der Waals attraction. Read, Mark SD, M. Saiful Islam, Graeme W. Watson, and Fred E. Hancock. "Surface structures and defect properties of pure and doped La2NiO4." Journal of Materials Chemistry 11, no. 10 (2001): 2597-2602.; en: потециал Бэкингема
buckle: a piece of metal at one end of a belt or strap, used to fasten the two ends together; Example: A sinusoidal ‘buckling’ of the Ni–Oeq planes occurs as they descend into the bulk. Read, Mark SD, M. Saiful Islam, Graeme W. Watson, and Fred E. Hancock. "Surface structures and defect properties of pure and doped La2NiO4." Journal of Materials Chemistry 11, no. 10 (2001): 2597-2602.; en: пряжка
capacitance current.: Current flow due to a changing potential of the electrode which charges or discharges a capacitor.; Example: However, the increase in ORR activity was several factors higher than the increase in capacitance current. Beall, Casey E., Emiliana Fabbri, and Thomas J. Schmidt. "Perovskite oxide based electrodes for the oxygen reduction and evolution reactions: the underlying mechanism." ACS Catalysis 11, no. 5 (2021): 3094-3114.; en: Ток конденсатора
Chemical Vapor Deposition (CVD): term; CVD is a vacuum deposition method used to produce high quality, and high-performance, solid materials. The process is often used in the semiconductor industry to produce thin films. In typical CVD, the wafer (substrate) is exposed to one or more volatile precursors, which react and/or decompose on the substrate surface to produce the desired deposit.; Example: Because the cubic phase perovskite surface structure is relatively simple, its simplest (001) plane can be synthesized by chemical vapor deposition (CVD). Zhao, Jia-Wei, Zi-Xiao Shi, Cheng-Fei Li, Qian Ren, and Gao-Ren Li. "Regulation of perovskite surface stability on the electrocatalysis of oxygen evolution reaction." ACS Materials Letters 3, no. 6 (2021): 721-737.; en: Химическое осаждение из газовой фазы
Chronoamperometry: Chronoamperometry is an electrochemical technique in which the potential of the working electrode is stepped and the resulting current from faradaic processes occurring at the electrode (caused by the potential step) is monitored as a function of time. The functional relationship between current response and time is measured after applying single or double potential step to the working electrode of the electrochemical system; Example: When OER activity is measured, via chronoamperometry (CA) measurements (see below), capacitive current correction is not needed. Beall, Casey E., Emiliana Fabbri, and Thomas J. Schmidt. "Perovskite oxide based electrodes for the oxygen reduction and evolution reactions: the underlying mechanism." ACS Catalysis 11, no. 5 (2021): 3094-3114.; en: Хроноамперметрия
comprehensive: complete and including everything that is necessary; Example: Nevertheless, for a clearer, more comprehensive understanding of the impact of carbon on cation oxidation state, more studies using techniques such as in situ and ex situ XAS and XPS are required. Beall, Casey E., Emiliana Fabbri, and Thomas J. Schmidt. "Perovskite oxide based electrodes for the oxygen reduction and evolution reactions: the underlying mechanism." ACS Catalysis 11, no. 5 (2021): 3094-3114.; en: всесторонний, исчерпывающий
crucible: a container in which metals or other substances can be heated to very high temperatures; Example: The loose powder was then placed in a platinum crucible and fired in flowing oxygen at 1120 C for 12 h and slowly furnace cooled. Jorgensen, J. D., B. Dabrowski, Shiyou Pei, D. R. Richards, and D. G. Hinks. "Structure of the interstitial oxygen defect in La 2 NiO 4+ δ." Physical Review B 40, no. 4 (1989): 2187.; en: тигель
discrepancy: a difference between two things that should be the same; Example: The small discrepancy could result from small local La displacements around the O(3) defect which we have not included in our refinement model. Jorgensen, J. D., B. Dabrowski, Shiyou Pei, D. R. Richards, and D. G. Hinks. "Structure of the interstitial oxygen defect in La 2 NiO 4+ δ." Physical Review B 40, no. 4 (1989): 2187.; en: расхождение
dopant: A dopant, also called a doping agent, is a trace of impurity element that is introduced into a chemical material to alter its original electrical or optical properties.; Example: It is clear that surface properties such as the precise surface structures and the role of point defects and dopants are crucial to the proper understanding of the catalytic and electrochemical properties. Read, Mark SD, M. Saiful Islam, Graeme W. Watson, and Fred E. Hancock. "Surface structures and defect properties of pure and doped La2NiO4." Journal of Materials Chemistry 11, no. 10 (2001): 2597-2602.; en: легирующая примесь
enhancement: Noun; the process of improving the quality, amount, or strength of something.; Example: To allow direct comparison of the effects of Fe on each LSCO-x sample, we determined the Fe-OER activity enhancement factor. Lopes, Pietro P., Dong Young Chung, Xue Rui, Hong Zheng, Haiying He, Pedro Farinazzo Bergamo Dias Martins, Dusan Strmcnik et al. "Dynamically stable active sites from surface evolution of perovskite materials during the oxygen evolution reaction." Journal of the American Chemical Society 143, no. 7 (2021): 2741-2750.; en: улучшение
facilitate: to make something possible or easier; Example: Open questions and theories are also mentioned in order to facilitate further research. Beall, Casey E., Emiliana Fabbri, and Thomas J. Schmidt. "Perovskite oxide based electrodes for the oxygen reduction and evolution reactions: the underlying mechanism." ACS Catalysis 11, no. 5 (2021): 3094-3114.; en: упрощать
feasible: able to be made, done, or achieved; Example: the catalytic mechanism for O2 production from the oxygen lattice sites would only be possible if electrodeposition of the perovskite oxide was a feasible process in alkaline media at potentials where OER takes place. Lopes, Pietro P., Dong Young Chung, Xue Rui, Hong Zheng, Haiying He, Pedro Farinazzo Bergamo Dias Martins, Dusan Strmcnik et al. "Dynamically stable active sites from surface evolution of perovskite materials during the oxygen evolution reaction." Journal of the American Chemical Society 143, no. 7 (2021): 2741-2750.; en: достижимый
furnace: a container that is heated to a very high temperature, so that substances that are put inside it, such as metal, will melt or burn; Example: The loose powder was then placed in a platinum crucible and fired in flowing oxygen at 1120 C for 12 h and slowly furnace cooled. Jorgensen, J. D., B. Dabrowski, Shiyou Pei, D. R. Richards, and D. G. Hinks. "Structure of the interstitial oxygen defect in La 2 NiO 4+ δ." Physical Review B 40, no. 4 (1989): 2187.; en: печь
hindrence: from "to hinder": to limit the ability of someone to do something, or to limit the development of something; Example: One hindrance to the development of fuel cells and electrolyzers are the oxygen electrodes, which suffer from high overpotentials and slow kinetics. Beall, Casey E., Emiliana Fabbri, and Thomas J. Schmidt. "Perovskite oxide based electrodes for the oxygen reduction and evolution reactions: the underlying mechanism." ACS Catalysis 11, no. 5 (2021): 3094-3114.; en: помеха, препятствие
intermittent: not happening regularly or continuously; stopping and starting repeatedly or with periods in between.; Example: However, renew-able energy sources suffer from intermittency and cannot satisfy the global energy demand without being coupled to a reliable energy storage system. Beall, Casey E., Emiliana Fabbri, and Thomas J. Schmidt. "Perovskite oxide based electrodes for the oxygen reduction and evolution reactions: the underlying mechanism." ACS Catalysis 11, no. 5 (2021): 3094-3114.; en: прерывистый
interstitial: adjective; relating to spaces between cells, tissues or layers.; Example: The migration of the interstitial oxygen (OI) in La2NiO4 has been by far the most investigated because of the intrinsic features governing ionic conductivity for a direct interstitial mechanism of oxygen ions. Zhou, Jun, Gang Chen, Kai Wu, and Yonghong Cheng. "Interaction of La2NiO4 (100) surface with oxygen molecule: A first-principles study." The Journal of Physical Chemistry C 117, no. 25 (2013): 12991-12999.; en: промежуточный
intrinsically: in a way that is an extremely important and basic characteristic of a person or thing; Example: The second scenario can be applied to a more intrinsically conductive catalyst without a conductive additive. Beall, Casey E., Emiliana Fabbri, and Thomas J. Schmidt. "Perovskite oxide based electrodes for the oxygen reduction and evolution reactions: the underlying mechanism." ACS Catalysis 11, no. 5 (2021): 3094-3114.; en: В действительности, от природы, внутрене
iodometric titration: Iodometry, known as iodometric titration, is a method of volumetric chemical analysis, a redox titration where the appearance or disappearance of elementary iodine indicates the end point.; Example: These proposals have been based on experimental evidence such as comparisons of thermogravimetric analysis and iodometric titration, magnetization data, and x-ray photoelectron spectroscopy. Jorgensen, J. D., B. Dabrowski, Shiyou Pei, D. R. Richards, and D. G. Hinks. "Structure of the interstitial oxygen defect in La 2 NiO 4+ δ." Physical Review B 40, no. 4 (1989): 2187.; en: Йодометрия
markedly: adverb; in a very obvious or noticeable way; Example: Their effects on the prepeak intensity are markedly higher than that caused by changes in Co-ion spin state. Lopes, Pietro P., Dong Young Chung, Xue Rui, Hong Zheng, Haiying He, Pedro Farinazzo Bergamo Dias Martins, Dusan Strmcnik et al. "Dynamically stable active sites from surface evolution of perovskite materials during the oxygen evolution reaction." Journal of the American Chemical Society 143, no. 7 (2021): 2741-2750.; en: заметно
miscibility gap: A miscibility gap is a region in a phase diagram for a mixture of components where the mixture exists as two or more phases – any region of composition of mixtures where the constituents are not completely miscible.; Example: This phase separation suggests a miscibility gap in the oxygen-concentration phase diagram and implies that much higher oxygen pressures are required to synthesize single-phase samples of superconducting La2Cu04+. Jorgensen, J. D., B. Dabrowski, Shiyou Pei, D. R. Richards, and D. G. Hinks. "Structure of the interstitial oxygen defect in La 2 NiO 4+ δ." Physical Review B 40, no. 4 (1989): 2187.; en: смешанная фаза
persistent: lasting for a long time or difficult to get rid of; Example: Our results offer another possible explanation for the persistent indications of a peroxide or superoxide species. Jorgensen, J. D., B. Dabrowski, Shiyou Pei, D. R. Richards, and D. G. Hinks. "Structure of the interstitial oxygen defect in La 2 NiO 4+ δ." Physical Review B 40, no. 4 (1989): 2187.; en: настойчивый, постоянный
pivot: noun; the central or most important person or thing in a situation; Example: Among many factors affecting the chemical-electrical energy conversion, the oxygen reduction reaction (ORR) on cathode is the pivot in fuel cell. Zhou, Jun, Gang Chen, Kai Wu, and Yonghong Cheng. "Interaction of La2NiO4 (100) surface with oxygen molecule: A first-principles study." The Journal of Physical Chemistry C 117, no. 25 (2013): 12991-12999.; en: Стержень
powder: noun; a loose, dry substance that consists of extremely small pieces, usually made by breaking something up and crushing it.; Example: Iridium concentration in the electrolyte during the second CV cycle of potential to 1.65 V versus the reversible hydrogen electrode (RHE) for the investigated powders. Zhao, Jia-Wei, Zi-Xiao Shi, Cheng-Fei Li, Qian Ren, and Gao-Ren Li. "Regulation of perovskite surface stability on the electrocatalysis of oxygen evolution reaction." ACS Materials Letters 3, no. 6 (2021): 721-737.; en: пудра, порошок
precursor: noun; something that happened or existed before another thing, especially if it either developed into it or had an influence on it; Example: Such structural changes illustrate that these molecular states are likely precursors for oxygen molecule dissociation. Zhou, Jun, Gang Chen, Kai Wu, and Yonghong Cheng. "Interaction of La2NiO4 (100) surface with oxygen molecule: A first-principles study." The Journal of Physical Chemistry C 117, no. 25 (2013): 12991-12999.; en: Предшественник
pristine: adjective; (1) new or almost new, and in very good condition (2) original and pure; not spoiled or worn from use; Example: By analyzing first the pristine materials, then after 50 cycles in purified KOH, and later after an additional 50 cycles in Fe-containing KOH (see experimental details in the Supporting Information), we were able to visualize the occurrence of three key, sequential processes. Lopes, Pietro P., Dong Young Chung, Xue Rui, Hong Zheng, Haiying He, Pedro Farinazzo Bergamo Dias Martins, Dusan Strmcnik et al. "Dynamically stable active sites from surface evolution of perovskite materials during the oxygen evolution reaction." Journal of the American Chemical Society 143, no. 7 (2021): 2741-2750.; en: первоначальный, нетронутый
Raman spectroscopy: term; Raman spectroscopy is a spectroscopic technique typically used to determine vibrational modes of molecules, although rotational and other low-frequency modes of systems may also be observed. Raman spectroscopy is commonly used in chemistry to provide a structural fingerprint by which molecules can be identified. Raman spectroscopy relies upon inelastic scattering of photons, known as Raman scattering. A source of monochromatic light, usually from a laser in the visible, near infrared, or near ultraviolet range is used, although X-rays can also be used. The laser light interacts with molecular vibrations, phonons or other excitations in the system, resulting in the energy of the laser photons being shifted up or down. The shift in energy gives information about the vibrational modes in the system.; Example: The formation of the stable hydr(oxy)oxide layer is a consequence of the surface evolution driven by A-site dissolution and O-vac formation, as experimentally confirmed by ex situ identical location scanning transmission electron microscopy (IL-STEM) at atomic resolution, Raman spectroscopy, and insitu inductively coupled plasma−mass spectrometry (ICP-MS) Lopes, Pietro P., Dong Young Chung, Xue Rui, Hong Zheng, Haiying He, Pedro Farinazzo Bergamo Dias Martins, Dusan Strmcnik et al. "Dynamically stable active sites from surface evolution of perovskite materials during the oxygen evolution reaction." Journal of the American Chemical Society 143, no. 7 (2021): 2741-2750.; en: Рамоновская спектроскопия
scarсe: not easy to find or get; Example: Despite concerted experimental and theoretical efforts, the knowledge as to the actual mechanism of the ORR on such electrode material surfaces is relatively scarce. Akbay, Taner, Aleksandar Staykov, John Druce, Helena Téllez, Tatsumi Ishihara, and John A. Kilner. "The interaction of molecular oxygen on LaO terminated surfaces of La 2 NiO 4." Journal of Materials Chemistry A 4, no. 34 (2016): 13113-13124.; en: редкий
sluggish: adjective; moving or operating more slowly than usual and with less energy or power; Example: However, the anodic reaction, OER is the bottleneck for the overall water splitting, which is caused by the sluggish multistep proton-coupled electron transfer. Zhao, Jia-Wei, Zi-Xiao Shi, Cheng-Fei Li, Qian Ren, and Gao-Ren Li. "Regulation of perovskite surface stability on the electrocatalysis of oxygen evolution reaction." ACS Materials Letters 3, no. 6 (2021): 721-737.; en: Вялый
soft phonon: The concept of "soft phonon" associated with a phase transition signifies a phenomenon in which a phonon mode, which coincides with a lower-symmetry structure, is very much amplified immediately before the onset of phase transition from a higher-symmetry structure.; Example: Thus, in the phase the strain exhibits the expected temperature dependency for an order parameter near a soft phonon mode phase transtion. Jorgensen, J. D., B. Dabrowski, Shiyou Pei, D. R. Richards, and D. G. Hinks. "Structure of the interstitial oxygen defect in La 2 NiO 4+ δ." Physical Review B 40, no. 4 (1989): 2187.; en: мягкий фонон
sonicate: subject (a biological sample) to ultrasonic vibration so as to fragment the cells, macromolecules, and membranes.; Example: When BSCF was strongly sonicated with carbon (a typical electrode preparation method), a shift in the Co K-edge to lower energies was observed, compared with unmodified BSCF. Beall, Casey E., Emiliana Fabbri, and Thomas J. Schmidt. "Perovskite oxide based electrodes for the oxygen reduction and evolution reactions: the underlying mechanism." ACS Catalysis 11, no. 5 (2021): 3094-3114.; en: действовать ультразвуком
superficial: only on the surface of something not complete and involving only the most obvious things; Example: For several OER catalysts, the formation of a superficial oxyhydroxide phase is linked to high OER activity, and many studies suggested a correlation with the occurrence of the LOER and metal dissolution processes. Beall, Casey E., Emiliana Fabbri, and Thomas J. Schmidt. "Perovskite oxide based electrodes for the oxygen reduction and evolution reactions: the underlying mechanism." ACS Catalysis 11, no. 5 (2021): 3094-3114.; en: поверхностный
surge: a sudden and great increase; Example: These results suggest increased surface utilization is not the sole reason for the surge in activity in composite electrodes. Beall, Casey E., Emiliana Fabbri, and Thomas J. Schmidt. "Perovskite oxide based electrodes for the oxygen reduction and evolution reactions: the underlying mechanism." ACS Catalysis 11, no. 5 (2021): 3094-3114.; en: всплеск
Thermogravimetric analysis: Thermogravimetric analysis or thermal gravimetric analysis (TGA) is a method of thermal analysis in which the mass of a sample is measured over time as the temperature changes. This measurement provides information about physical phenomena, such as phase transitions, absorption, adsorption and desorption; as well as chemical phenomena including chemisorptions, thermal decomposition, and solid-gas reactions (e.g., oxidation or reduction); Example: These proposals have been based on experimental evidence such as comparisons of thermogravimetric analysis and iodometric titration, magnetization data, and x-ray photoelectron spectroscopy. Jorgensen, J. D., B. Dabrowski, Shiyou Pei, D. R. Richards, and D. G. Hinks. "Structure of the interstitial oxygen defect in La 2 NiO 4+ δ." Physical Review B 40, no. 4 (1989): 2187.; en: Термогравиметрия
to assess: to judge or decide the amount, value, quality, or importance of something; Example: The simulation approach to aliovalent doping is based on assessing the energetics of dissolution and the nature of the charge-сompensating defects. Read, Mark SD, M. Saiful Islam, Graeme W. Watson, and Fred E. Hancock. "Surface structures and defect properties of pure and doped La2NiO4." Journal of Materials Chemistry 11, no. 10 (2001): 2597-2602.; en: оценивать
to augment: to increase the size or value of something by adding something to it; Example: It is evident that to augment the various redox processes in the bulk of the material, a knowledge of the surface structure is required. Read, Mark SD, M. Saiful Islam, Graeme W. Watson, and Fred E. Hancock. "Surface structures and defect properties of pure and doped La2NiO4." Journal of Materials Chemistry 11, no. 10 (2001): 2597-2602.; en: увеличить
to cleave: to separate or divide, or cause something to separate or divide, often violently; Example: The fully relaxed slabs for defect free and defective surfaces, shown in Fig. 1b and c, followed a well-established trend for cleaved surfaces with contraction in the surface layer and expansion in the sub-surface layer towards vacuum. Akbay, Taner, Aleksandar Staykov, John Druce, Helena Téllez, Tatsumi Ishihara, and John A. Kilner. "The interaction of molecular oxygen on LaO terminated surfaces of La 2 NiO 4." Journal of Materials Chemistry A 4, no. 34 (2016): 13113-13124.; en: расколоть
to diminish: to reduce or be reduced in size or importance; Example: These relaxations occur in the lower layers and diminish until negligible displacements occur some 30 Å into the bulk Read, Mark SD, M. Saiful Islam, Graeme W. Watson, and Fred E. Hancock. "Surface structures and defect properties of pure and doped La2NiO4." Journal of Materials Chemistry 11, no. 10 (2001): 2597-2602.; en: Уменьшать
to elucidate: to explain something or make something clear; Example: This discovery represents a significant challenge for computational science which has to elucidate the chemical mechanisms that take place on that particular surface termination. Akbay, Taner, Aleksandar Staykov, John Druce, Helena Téllez, Tatsumi Ishihara, and John A. Kilner. "The interaction of molecular oxygen on LaO terminated surfaces of La 2 NiO 4." Journal of Materials Chemistry A 4, no. 34 (2016): 13113-13124.; en: освещать, разъяснять
to encompass: to include different types of things; Example: Finally, it would be of interest to extend the present work to encompass surface simulations of the oxygen-excess material La2NiO4zd comprised of oxygen interstitial defects. Read, Mark SD, M. Saiful Islam, Graeme W. Watson, and Fred E. Hancock. "Surface structures and defect properties of pure and doped La2NiO4." Journal of Materials Chemistry 11, no. 10 (2001): 2597-2602.; en: заключать в себя, охватывать
to exacerbate: to make something that is already bad even worse; Example: The situation is, undoubtedly, exacerbated in the present case by the fact that the two phases are nearly identical structures in which many of the corresponding peaks are overlapped. Jorgensen, J. D., B. Dabrowski, Shiyou Pei, D. R. Richards, and D. G. Hinks. "Structure of the interstitial oxygen defect in La 2 NiO 4+ δ." Physical Review B 40, no. 4 (1989): 2187.; en: ухудшать
to hamper: to prevent someone doing something easily; Example: Since the solubility for the excess oxygen defect is rather low, detailed studies of the structure and behavior of this defect have been hampered by difhculties in sample preparation. Jorgensen, J. D., B. Dabrowski, Shiyou Pei, D. R. Richards, and D. G. Hinks. "Structure of the interstitial oxygen defect in La 2 NiO 4+ δ." Physical Review B 40, no. 4 (1989): 2187.; en: препятствовать
to impart: verb; to give something a particular feeling, quality, or taste; Example: In turn, this imparts a 10-fold improvement in stability against Co dissolution and a 3-fold increase in the activity−stability factor for CoOxHy/LSCO when compared to nanoscale Co-hydr(oxy)oxides clusters. Lopes, Pietro P., Dong Young Chung, Xue Rui, Hong Zheng, Haiying He, Pedro Farinazzo Bergamo Dias Martins, Dusan Strmcnik et al. "Dynamically stable active sites from surface evolution of perovskite materials during the oxygen evolution reaction." Journal of the American Chemical Society 143, no. 7 (2021): 2741-2750.; en: Передавать, придавать
to nudge: to push something or someone gently, especially to push someone with your elbow (= the middle part of your arm where it bends) to attract the person's attention; Example: The energy barriers for oxygen dissociation were calculated by employing the climbing image nudged elastic band (CI-NEB) method Akbay, Taner, Aleksandar Staykov, John Druce, Helena Téllez, Tatsumi Ishihara, and John A. Kilner. "The interaction of molecular oxygen on LaO terminated surfaces of La 2 NiO 4." Journal of Materials Chemistry A 4, no. 34 (2016): 13113-13124.; en: подтолкнуть
to rumple: to make something become creased (= not smooth) or untidy; Example: This overall relaxation reduces the {110} surface energy by 62% and creates a ‘rumpling’ effect of the outermost surface layer. Read, Mark SD, M. Saiful Islam, Graeme W. Watson, and Fred E. Hancock. "Surface structures and defect properties of pure and doped La2NiO4." Journal of Materials Chemistry 11, no. 10 (2001): 2597-2602.; en: мять
to unleash: verb; (1) to release from a leash or restraint. (2) to suddenly release a violent force that cannot be controlled; Example: The key solution to unleash this constrain is to find an electrocatalyst that reduces the overpotential (η) of OER. Zhao, Jia-Wei, Zi-Xiao Shi, Cheng-Fei Li, Qian Ren, and Gao-Ren Li. "Regulation of perovskite surface stability on the electrocatalysis of oxygen evolution reaction." ACS Materials Letters 3, no. 6 (2021): 721-737.; en: Развязать, дать волю.