FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4387393006> ?p ?o ?g. }

• W4387393006 abstract "ConspectusThe growing energy crisis and the adverse environmental impacts caused by carbon-based energy consumption have spurred the exploration of green and sustainable energy. Researchers have been devoted to developing thermoelectric technology that could directly and reversibly convert heat into electricity. By virtue of zero emissions, nonmoving parts, precise temperature control, and long service life, thermoelectrics exhibit broad application in power generation and refrigeration. Nevertheless, traditional narrow-bandgap thermoelectrics exhibit high performance within a narrow temperature range, limiting the overall energy conversion. Consequently, a selection rule for exploring advanced thermoelectrics was proposed: materials with wide-bandgap, crystals form, asymmetry, and anisotropic structure. According to the rules, we conducted much research and found some promising materials.As the lead-free, cost-effective, and stable thermoelectric candidates, layered SnSe crystals with wide-bandgap and covalent bonding have gained significant attention due to their ultralow thermal conductivity resulting from strong bonding anharmonicity, via strong polar covalent bonding, because of the electronegativity difference between the Sn and Se atoms. This was proved to be the result from the unique structure of layered SnSe crystals, a distorted rock-salt structure with high and anisotropic Grüneisen parameters. In this Account, we introduce and rethink our recent advancements in developing high-performance thermoelectric SnSe crystals from computational materials science, involving p- and n-type SnSe crystals, respectively. For p-type SnSe crystals, according to the complex valence band structures, we utilized the multiband synglisis via electronic structure calculations and multiband simulations to activate valence bands to participate in electrical transport of in-plane direction, achieving an ultrahigh power factor (PF) of ∼75 μW cm–1 K–2 at room temperature and an average figure-of-merit ZTave of ∼1.9 for Sn0.91Pb0.09Se. Besides, on the basis of defect chemistry, the characteristics of p-type SnSe crystals are determined by intrinsic Sn vacancies. We thus used point-defect calculations to achieve the lattice plainification, and we fixed the lattice intrinsic defects to weaken defect scattering of carriers along the in-plane direction, facilitating further a PF > 100 μW cm–1 K–2 and a ZT of ∼1.5 at room temperature for SnCu0.001Se. For n-type SnSe crystals, inspired by the anisotropic characteristics of the layered materials, we analyzed charge density and proposed the insight of 3D charge and 2D phonon transports and calculated the deformation potential to manipulate layered phonon–electron decoupling to achieve high performance, ultimately Pb-alloyed and Cl-doped SnSe (SnSe–Cl–PbSe) reaching a ZTave of ∼1.7 from 300 to 773 K. In the end, we offer potential perspectives on high-throughput calculations (HTC) and machine learning (ML), combined with our proposed insights, which could be a promising avenue for future thermoelectrics. By virtue of our theoretical and experimental understanding of thermoelectrics, integrating these insights as rules and descriptors for HTC and ML will accelerate the research and development of thermoelectrics. We want to share our recent works and latest perspectives in SnSe thermoelectrics, and we expect to inspire enthusiasm for innovative research on advanced thermoelectric materials and devices." @default.
• W4387393006 created "2023-10-07" @default.
• W4387393006 creator A5002318539 @default.
• W4387393006 creator A5020728479 @default.
• W4387393006 creator A5041348380 @default.
• W4387393006 date "2023-10-06" @default.
• W4387393006 modified "2023-10-14" @default.
• W4387393006 title "Rethinking SnSe Thermoelectrics from Computational Materials Science" @default.
• W4387393006 cites W1684284138 @default.
• W4387393006 cites W1886035879 @default.
• W4387393006 cites W1963663373 @default.
• W4387393006 cites W1965905995 @default.
• W4387393006 cites W1980627345 @default.
• W4387393006 cites W2003483230 @default.
• W4387393006 cites W2015773728 @default.
• W4387393006 cites W2017347525 @default.
• W4387393006 cites W2018411175 @default.
• W4387393006 cites W2029741576 @default.
• W4387393006 cites W2037134070 @default.
• W4387393006 cites W2074782086 @default.
• W4387393006 cites W2076218685 @default.
• W4387393006 cites W2081870935 @default.
• W4387393006 cites W2083415705 @default.
• W4387393006 cites W2107274567 @default.
• W4387393006 cites W2171379119 @default.
• W4387393006 cites W2175477086 @default.
• W4387393006 cites W2288611147 @default.
• W4387393006 cites W2336644598 @default.
• W4387393006 cites W2342905623 @default.
• W4387393006 cites W2489804518 @default.
• W4387393006 cites W2507875578 @default.
• W4387393006 cites W2518957231 @default.
• W4387393006 cites W2525590919 @default.
• W4387393006 cites W2531680335 @default.
• W4387393006 cites W2547490100 @default.
• W4387393006 cites W2555120151 @default.
• W4387393006 cites W2726968016 @default.
• W4387393006 cites W2803116553 @default.
• W4387393006 cites W2811047282 @default.
• W4387393006 cites W2944819082 @default.
• W4387393006 cites W3010876882 @default.
• W4387393006 cites W3031512201 @default.
• W4387393006 cites W3036244768 @default.
• W4387393006 cites W3113105954 @default.
• W4387393006 cites W3140387407 @default.
• W4387393006 cites W3162274593 @default.
• W4387393006 cites W3178227684 @default.
• W4387393006 cites W3200818036 @default.
• W4387393006 cites W4200258481 @default.
• W4387393006 cites W4220701268 @default.
• W4387393006 cites W4221062517 @default.
• W4387393006 cites W4225302174 @default.
• W4387393006 cites W4282826463 @default.
• W4387393006 cites W4285020830 @default.
• W4387393006 cites W4285795215 @default.
• W4387393006 cites W4310251904 @default.
• W4387393006 cites W4378194757 @default.
• W4387393006 doi "https://doi.org/10.1021/acs.accounts.3c00490" @default.
• W4387393006 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37801363" @default.
• W4387393006 hasPublicationYear "2023" @default.
• W4387393006 type Work @default.
• W4387393006 citedByCount "0" @default.
• W4387393006 crossrefType "journal-article" @default.
• W4387393006 hasAuthorship W4387393006A5002318539 @default.
• W4387393006 hasAuthorship W4387393006A5020728479 @default.
• W4387393006 hasAuthorship W4387393006A5041348380 @default.
• W4387393006 hasConcept C121332964 @default.
• W4387393006 hasConcept C171250308 @default.
• W4387393006 hasConcept C181966813 @default.
• W4387393006 hasConcept C192562407 @default.
• W4387393006 hasConcept C207365445 @default.
• W4387393006 hasConcept C49040817 @default.
• W4387393006 hasConcept C61696701 @default.
• W4387393006 hasConcept C63024428 @default.
• W4387393006 hasConcept C97355855 @default.
• W4387393006 hasConceptScore W4387393006C121332964 @default.
• W4387393006 hasConceptScore W4387393006C171250308 @default.
• W4387393006 hasConceptScore W4387393006C181966813 @default.
• W4387393006 hasConceptScore W4387393006C192562407 @default.
• W4387393006 hasConceptScore W4387393006C207365445 @default.
• W4387393006 hasConceptScore W4387393006C49040817 @default.
• W4387393006 hasConceptScore W4387393006C61696701 @default.
• W4387393006 hasConceptScore W4387393006C63024428 @default.
• W4387393006 hasConceptScore W4387393006C97355855 @default.
• W4387393006 hasFunder F4320321001 @default.
• W4387393006 hasFunder F4320327912 @default.
• W4387393006 hasFunder F4320334977 @default.
• W4387393006 hasFunder F4320335777 @default.
• W4387393006 hasFunder F4320336125 @default.
• W4387393006 hasLocation W43873930061 @default.
• W4387393006 hasLocation W43873930062 @default.
• W4387393006 hasOpenAccess W4387393006 @default.
• W4387393006 hasPrimaryLocation W43873930061 @default.
• W4387393006 hasRelatedWork W2020608678 @default.
• W4387393006 hasRelatedWork W2325219069 @default.
• W4387393006 hasRelatedWork W2631294502 @default.
• W4387393006 hasRelatedWork W2779952364 @default.
• W4387393006 hasRelatedWork W3093857753 @default.
• W4387393006 hasRelatedWork W3143330227 @default.
• W4387393006 hasRelatedWork W4205153040 @default.

• next