biostudies-literatureLan YNational Natural Science Foundation of ChinaNatural Science Foundation of Sichuan Province1396https://www.ebi.ac.uk/biostudies/studies/S-EPMC12472265biostudies-literatureUnknown15(18)Accurately understanding and modulating thermal and thermoelectric transport in penta-XP<sub>2</sub> (X = Pd, Pt) monolayers is crucial for their applications in nanoelectronics and energy conversion. We systematically investigate the thermal conductivity and thermoelectric properties of penta-XP<sub>2</sub> monolayers through first-principles calculations, incorporating four-phonon (4ph) scattering and electron-phonon interaction (EPI) effects. The 4ph scattering, particularly Umklapp and redistribution processes, markedly suppresses lattice thermal conductivity by generating substantial thermal resistance and disrupting phonon population distributions. At 300 K, the lattice thermal conductivity is reduced to 0.87 W/mK (80% reduction) for penta-PdP<sub>2</sub> and 1.64 W/mK (79% reductionNanomaterials (Basel, Switzerland)Impact of Four-Phonon Scattering on Thermal Transport and Thermoelectric Performance of Penta-XP<sub>2</sub> (X = Pd, Pt) Monolayers.PMC12472265123024282024NSFSC1407Wang NLi YChen QWang PLi CDing CGu YZhang YZhang HYan YLan YZha XfalseImpact of Four-Phonon Scattering on Thermal Transport and Thermoelectric Performance of Penta-XP<sub>2</sub> (X = Pd, Pt) Monolayers.Accurately understanding and modulating thermal and thermoelectric transport in penta-XP<sub>2</sub> (X = Pd, Pt) monolayers is crucial for their applications in nanoelectronics and energy conversion. We systematically investigate the thermal conductivity and thermoelectric properties of penta-XP<sub>2</sub> monolayers through first-principles calculations, incorporating four-phonon (4ph) scattering and electron-phonon interaction (EPI) effects. The 4ph scattering, particularly Umklapp and redistribution processes, markedly suppresses lattice thermal conductivity by generating substantial thermal resistance and disrupting phonon population distributions. At 300 K, the lattice thermal conductivity is reduced to 0.87 W/mK (80% reduction) for penta-PdP<sub>2</sub> and 1.64 W/mK (79% reduction2025-01-01T00:00:00Z2025 Sep2026-05-01T03:22:12.144Z2026-05-01T03:11:07.812ZS-EPMC124722654100303210.3390/nano15181396