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2D PC3 as a promising thermoelectric material
2D PC3 as a promising thermoelectric material
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2D PC3 as a promising thermoelectric material

Rajput, Kaptan ; Roy, Debesh R

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (16), p.8625-8632 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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2
Ab initio calculation of electronic charge mobility in metal-organic frameworks
Ab initio calculation of electronic charge mobility in metal-organic frameworks
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Ab initio calculation of electronic charge mobility in metal-organic frameworks

Musho, Terence ; Wu, Nianqiang

Physical chemistry chemical physics : PCCP, 2015-10, Vol.17 (39), p.26160-26165 [Periódico revisado por pares]

England

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3
Ab initio electronic structure calculations of entire blue copper azurins
Ab initio electronic structure calculations of entire blue copper azurins
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Ab initio electronic structure calculations of entire blue copper azurins

Romero-Muñiz, Carlos ; Ortega, María ; Vilhena, J G ; Díez-Pérez, I ; Cuevas, Juan Carlos ; Pérez, Rubén ; Zotti, Linda A

Physical chemistry chemical physics : PCCP, 2018-12, Vol.20 (48), p.30392-30402 [Periódico revisado por pares]

England: Royal Society of Chemistry

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4
Ab initio modelling of spin relaxation lengths in disordered graphene nanoribbons
Ab initio modelling of spin relaxation lengths in disordered graphene nanoribbons
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Ab initio modelling of spin relaxation lengths in disordered graphene nanoribbons

Rojas, Wudmir Y ; Villegas, Cesar E P ; Rocha, Alexandre R

Physical chemistry chemical physics : PCCP, 2019-12, Vol.21 (47), p.26027-26032 [Periódico revisado por pares]

England: Royal Society of Chemistry

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5
Above-room Curie temperature and barrier-layer-dependent tunneling magnetoresistance in 1T-CrO2 monolayer based magnetic tunnel junctions
Above-room Curie temperature and barrier-layer-dependent tunneling magnetoresistance in 1T-CrO2 monolayer based magnetic tunnel junctions
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Above-room Curie temperature and barrier-layer-dependent tunneling magnetoresistance in 1T-CrO2 monolayer based magnetic tunnel junctions

Liu, Jie ; Tang, Huan ; Gan, Min ; Chen, Hong ; Shi, Xuan ; Yuan, Hongkuan

Physical chemistry chemical physics : PCCP, 2022-09, Vol.24 (36), p.22007-22015 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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6
Accessing the thermal conductivities of Sb2Te3 and Bi2Te3/Sb2Te3 superlattices by molecular dynamics simulations with a deep neural network potential
Accessing the thermal conductivities of Sb2Te3 and Bi2Te3/Sb2Te3 superlattices by molecular dynamics simulations with a deep neural network potential
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Accessing the thermal conductivities of Sb2Te3 and Bi2Te3/Sb2Te3 superlattices by molecular dynamics simulations with a deep neural network potential

Zhang, Pan ; Qin, Mi ; Zhang, Zhenhua ; Jin, Dan ; Liu, Yong ; Wang, Ziyu ; Lu, Zhihong ; Shi, Jing ; Xiong, Rui

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (8), p.6164-6174 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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7
Acetyl group orientation modulates the electronic ground-state asymmetry of the special pair in purple bacterial reaction centers
Acetyl group orientation modulates the electronic ground-state asymmetry of the special pair in purple bacterial reaction centers
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Acetyl group orientation modulates the electronic ground-state asymmetry of the special pair in purple bacterial reaction centers

Wawrzyniak, P K ; Beerepoot, M T P ; de Groot, H J M ; Buda, F

Physical chemistry chemical physics : PCCP, 2011-06, Vol.13 (21), p.10270-10279 [Periódico revisado por pares]

England

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8
Achieving high quantum capacitance graphdiyne through doping and adsorption
Achieving high quantum capacitance graphdiyne through doping and adsorption
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Achieving high quantum capacitance graphdiyne through doping and adsorption

Yang, Guangmin ; Li, Zhuo ; Wang, Siqi ; Lin, Jianyan

Physical chemistry chemical physics : PCCP, 2023-01, Vol.25 (3), p.212-218 [Periódico revisado por pares]

England: Royal Society of Chemistry

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9
All-phosphorus flexible devices with non-collinear electrodes: a first principles study
All-phosphorus flexible devices with non-collinear electrodes: a first principles study
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All-phosphorus flexible devices with non-collinear electrodes: a first principles study

Li, Junjun ; Ruan, Lufeng ; Wu, Zewen ; Zhang, Guiling ; Wang, Yin

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (10), p.7167-7172 [Periódico revisado por pares]

England: Royal Society of Chemistry

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10
Alloying-induced spin Seebeck effect and spin figure of merit in Pt-based bimetallic atomic wires of noble metals
Alloying-induced spin Seebeck effect and spin figure of merit in Pt-based bimetallic atomic wires of noble metals
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Alloying-induced spin Seebeck effect and spin figure of merit in Pt-based bimetallic atomic wires of noble metals

Singh, Gurvinder ; Kumar, Krishan ; Moudgil, R. K

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (37), p.2965-298 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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