Journal of environmental chemical engineering, Год журнала: 2023, Номер 11(3), С. 109711 - 109711
Опубликована: Март 17, 2023
Язык: Английский
Journal of environmental chemical engineering, Год журнала: 2023, Номер 11(3), С. 109711 - 109711
Опубликована: Март 17, 2023
Язык: Английский
Sensors and Actuators B Chemical, Год журнала: 2023, Номер 401, С. 134968 - 134968
Опубликована: Ноя. 15, 2023
Язык: Английский
Процитировано
27ACS Sensors, Год журнала: 2023, Номер 8(6), С. 2319 - 2330
Опубликована: Май 12, 2023
Nowadays, trifluoromethyl sulfonyl fluoride (CF3SO2F) has shown great potential to replace SF6 as an eco-friendly insulation medium in the power industry. In this work, effective and low-cost design strategy toward ideal gas sensors for decomposed products of CF3SO2F was proposed. The achieved high-throughput screening from a large candidate space based on first-principle calculation machine learning (ML). is made up different transition metal-embedded graphic carbon nitrides (TM/g-C3N4) owing their high surface area subtle electronic structure. Four main noteworthy decomposition gases CF3SO2F, namely, CF4, SO2, SO2F2, HF, well initial stable structure TM/g-C3N4 were determined. best-performing ML model established implemented predict interaction strength between TM/g-C3N4, thus determining promising gas-sensing materials target with requirements strength, recovery time, sensitivity, selectivity. Further analysis guarantees stability reveals origin excellent properties sensor. opens new avenue rational principles desirable interdisciplinary view.
Язык: Английский
Процитировано
26Journal of Materials Chemistry A, Год журнала: 2024, Номер 12(25), С. 15254 - 15264
Опубликована: Янв. 1, 2024
High-performance sensors achieved highly selective monitoring of toxic gases produced after the battery becomes unstable.
Язык: Английский
Процитировано
16Langmuir, Год журнала: 2024, Номер 40(14), С. 7344 - 7352
Опубликована: Март 29, 2024
Based on density functional theory, the adsorption behavior of seven typical dissolved gas molecules (CO, CO
Язык: Английский
Процитировано
14Materials Science in Semiconductor Processing, Год журнала: 2024, Номер 184, С. 108848 - 108848
Опубликована: Авг. 29, 2024
Язык: Английский
Процитировано
13Materials Today Chemistry, Год журнала: 2024, Номер 38, С. 102038 - 102038
Опубликована: Апрель 10, 2024
Язык: Английский
Процитировано
12Journal of environmental chemical engineering, Год журнала: 2024, Номер 12(3), С. 112550 - 112550
Опубликована: Март 22, 2024
Язык: Английский
Процитировано
11Surfaces and Interfaces, Год журнала: 2024, Номер 50, С. 104532 - 104532
Опубликована: Май 25, 2024
Язык: Английский
Процитировано
11Langmuir, Год журнала: 2024, Номер 40(6), С. 2969 - 2978
Опубликована: Фев. 2, 2024
Real-time monitoring of the vented gases emitted by thermal runaway lithium-ion batteries (LIBs) is great significance to normal use LIBs. We study systematically adsorption and sensing performances pristine metal-doped BS monolayers five typical (CO, CO2, CH4, C2H2, C2H4) from LIBs employing first-principles method. The structure energetics, charge transfer, band structure, density states, sensitivity, recovery time are simulated analyzed. Outstanding properties predicted for Ni-, Pd-, Pt-doped monolayers, although their recently synthesized counterpart shows little potential those gases. magnitude energy increases 0.249 eV 2.32 (Ni-BS), 1.954 eV(Pd-BS), 2.994 (Pt-BS) CO gas after doping. Besides, significant variation gap observed in doped nanosheets, which leads huge theoretical values sensitivity. sensitivity CO, C2H4 on Pt-BS may reach up 5.87 × 105, 1.57 106, 1.81 8.33 104, 8.18 103, respectively. In addition, calculated times indicate that have strong selectivity detection these three should application sensors
Язык: Английский
Процитировано
10Sensors and Actuators B Chemical, Год журнала: 2024, Номер 422, С. 136612 - 136612
Опубликована: Сен. 11, 2024
Язык: Английский
Процитировано
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