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Иш: Highly efficient lanthanum- and actinium-doped B6/B8 complexes as single-atom catalysts toward superior hydrogen evolution reaction: a DFT perspective

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
Samuel Francis Boys, Fernando Bernardi
Мақола197025 иқтибос
ABI
Silicon Carbide Based Nanotubes as a Sensing Material for Gaseous H2SiCl2
Mohsen Doust Mohammadi, Hewa Y. Abdullah, Somnath Bhowmick +1
Мақола20224 иқтибос
ABI
Exploration of hydrogen evolution reaction (HER) by using first row transition metals doped B6 complexes as support materials
Naveen Kosar, Tariq Mahmood, Abdulrahman Allangawi +2
МақолаMachine Learning in Materials ScienceInorganic Chemistry Communications20243 иқтибос
ABI
Scrutinization of late first-row transition metals decorated octagonal boron (B8) ring complexes as single-atom catalysts for green hydrogen and oxygen production
Naveen Kosar, Tariq Mahmood, Muhammad Arshad +2
МақолаElectrocatalysts for Energy ConversionRSC Advances20253 иқтибос
ABI
Single‐Atom Catalysts: A Sustainable Pathway for the Advanced Catalytic Applications
Baljeet Singh, Vikas Sharma, Rahul P. Gaikwad +3
Шарҳ мақола20213 иқтибос
ABI
High-Temperature Gas Sensor Based on Novel Pt Single Atoms@SnO<sub>2</sub> Nanorods@SiC Nanosheets Multi-heterojunctions
Lian Sun, Bing Wang, Yingde Wang
Мақола20203 иқтибос
ABI
The adsorption of bromochlorodifluoromethane on pristine and Ge-doped silicon carbide nanotube: a PBC-DFT, NBO, and QTAIM study
Mohsen Doust Mohammadi, Hewa Y. Abdullah
Мақола20203 иқтибос
ABI
Directly anchoring non-noble metal single atoms on 1T-TMDs with tip structure for efficient hydrogen evolution
Wenda Zhou, Zhenzhen Jiang, Mingyue Chen +7
Мақола20213 иқтибос
ABI
Modulating electronic structure of metal-organic frameworks by introducing atomically dispersed Ru for efficient hydrogen evolution
Yamei Sun, Ziqian Xue, Qinglin Liu +7
Мақола20212 иқтибос
ABI
High Durability of Fe–N–C Single‐Atom Catalysts with Carbon Vacancies toward the Oxygen Reduction Reaction in Alkaline Media
Hao Tian, Ailing Song, Peng Zhang +9
Мақола20232 иқтибос
ABI
Precious Metal Free Hydrogen Evolution Catalyst Design and Application
Anders Agentoft Feidenhans'l, Yagya N. Regmi, Chao Wei +3
Шарҳ мақола20242 иқтибос
ABI
Systematic ab initio investigation of bare boron clusters:mDetermination of the geometryand electronic structures of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">B</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">n</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>(n=2–14)
Ihsan Boustani
Мақола19972 иқтибос
ABI
Atmospheric implications of hydration on the formation of methanesulfonic acid and methylamine clusters: A theoretical study
Dongping Chen, Danfeng Li, Changwei Wang +3
Мақола20192 иқтибос
ABI
Carbon-Based Single-Atom Catalysts for Advanced Applications
Manoj B. Gawande, Paolo Fornasiero, Radek Zbořil
Мақола20202 иқтибос
ABI
Single‐Atom Catalysts for Electrocatalytic Applications
Qiaoqiao Zhang, Jingqi Guan
Мақола20202 иқтибос
ABI
Hydrogen evolution/spillover effect of single cobalt atom on anatase TiO2 from first-principles calculations
Kang Yang, Gang Zhou
Мақола20202 иқтибос
ABI
Ab Initio Investigation of the Hydrogen Interaction on Two Dimensional Silicon Carbide
Phi Minh Nguyen, Hoa Van Nguyen, Vi Toan Lam +3
Мақола20222 иқтибос
ABI
Heteronanostructures constructed from vertical MoS2 nanosheets on sepiolite nanofibers boosting electrocatalytic hydrogen evolution
Kang Peng, Jingying Ye, Linjie Zuo +6
Мақола20232 иқтибос
ABI
Rare Earth Single-Atom Catalysts for Nitrogen and Carbon Dioxide Reduction
Jieyuan Liu, Xue Jun Kong, Lirong Zheng +3
Мақола20202 иқтибос
ABI
High-throughput screening of transition metal single-atom catalyst anchored on Janus MoSSe basal plane for hydrogen evolution reaction
Chengwei Xiao, Rongjian Sa, Zuju Ma +5
Мақола20212 иқтибос
ABI
Electrocatalytic activity of metal encapsulated, doped, and engineered fullerene-based nanostructured materials towards hydrogen evolution reaction
Hitler Louis, Onyinye J. Ikenyirimba, Tomsmith O. Unimuke +3
Мақола20222 иқтибос
ABI
Investigation of the adsorption and sensor properties of resorcinol (RSL) on X9N9 (X = Al, B, Ga, In) nanorings by DFT and QTAIM analysis with solvent effects
Jamelah S. Al‐Otaibi, Y. Sheena Mary, Y. Shyma Mary +2
Мақола20242 иқтибос
ABI
Ir Single Atom Catalyst Loaded on Amorphous Carbon Materials with High HER Activity
Chunxiang Liu, Ganghuo Pan, Nianjie Liang +3
Мақола20222 иқтибос
ABI
Single-Atom Catalysts: From Design to Application
Niancai Cheng, Lei Zhang, Kieran Doyle‐Davis +1
Мақола20192 иқтибос
ABI
Single-Atom Catalysts Based on the Metal–Oxide Interaction
Rui Lang, Xiaorui Du, Yike Huang +7
Шарҳ мақола20202 иқтибос
ABI