Extended Data: Safety issues caused by internal short circuits. in lithium-ion batteries

Transcription

1 Electronic Sulementary Material (ESI) for Journal of Material Chemitry A. Thi journal i The Royal Society of Chemitry 18 Extended Data: Safety iue caued by internal hort circuit in lithium-ion batterie 1 Introduction Abuive condition, uch a mechanical loadin, over-heat and over-chare oe a threatenin ituation for the otential hazardou cenario for LIB. Thoe neative effect may directly trier the ISC for the cell, followed by a equence of hyical, chemical and electrical chane for the material (Fi. S1). With the onet of ISC, roduced heat by ohm law raie the temerature. SEI (Solid-Electrolyte-Interhae) may reolve above 9, followed by the inerted lithium in anode reaction with electrolyte. Searator uually tart to melt from 1. Decomoition of electrolyte initiate at around and binder for the active article on electrode involve into reaction above 6. Above 66, Al collector tart meltin. Whether there i a afety boundary/vicinity if the ISC i triered and how many tyical tye of electrochemical behavior of cell after ISC till remain unknown. 1

2 Fi. S1. Phyical an chemical roce of internal hort-circuit of lithium battery. Exerimental.1. Penetration tet. Four reeated tet were conducted to make ure the reeatability and confidence of the indentation tet to trier the ISC (Fi. S). The hihly conitent reult aain directly rove the credibility of uch methodoloy.

3 Fi. S. Reeated exeriment reult for Hih SOC (95%) batterie. Table S1. Secification of equiment for exeriment of Cae 1 and. Equiment Tye Rane Frequency Preciion Reolution ratio Univeral material tetin machine INSTRON 45 ±5 kn 1 Hz ±(5% RD +.5% 1 kn) 5 N Diital voltmeter Multi-channel temerature enor Battery erformance Ailent 441A ~1 V Hz ±(.15 RD ANBAI AT458 ~ 1 BK688AR ~5 V ~5 A +.4ΔT).1 mv 1 Hz ±..1 1 Hz ±(.5%RD +.5%FS) 1 mv 1 ma

4 tetin machine.. Contact reitance meaurement exeriment. The relationhi between contact reitance and contact tre wa hown in Fi.S. Fi. S. contact tre -reitance curve.. Modelin and calibratin FE of LIB Fi. S4. The comarion of exeriment and imulation for (a) cathode comreion, (b) cathode tenion, (c) anode comreion, (d) anode tenion, (e) earator tenion, (f) cover hell tenion. 4

5 Table S Parameter and etu for mechanical model of LIB Cover Material Al latic film Thickne Mechanical Youn Modulu Yield tre (um) model (MPa) (MPa) 76 Elatic-latic Hardenin curve (MPa) Element tye cov cov cov S4R Searator PP 8 Elatic-latic e e e CD8R Current collector (Anode) Current collector (cathode) Cu 6 Elatic-latic 744. Al 1 Elatic-latic 5 6. ncc ncc ncc S4R cc cc cc S4R Anode LiC x 14 Cruhable foam ne ne cc. CD8R Cathode LiCoO 17 Cruhable foam 5.1 o o o CD8R 5

6 4. Multi-hyic method of LIB Fi. S. Comarion reult for exeriment and imulation for LIB durin dichare. 6

7 Table S Governin equation of all ub-model Model Function name Function Cell otential E E E cell, o, ne o ne l v v v Cell current i cell R l ol r A cell e cell, I A i, e e V L e cell e cell A Chare balance i ò A cell v, miloc, m A, i V m v dl dl r c c D t r r c, D R, r rr Diffuion equation c r r Battery model 1- R v, m n F N v Am / r m m hae E Q A i E E T eq eq, m ò v, m loc, m(, m ) m T, Battery heat Q ol i V l cell cell A e Q Q Q Q ba ne o ol Thermal runaway model 4, 5 Electrode kinetic exreion SEI decomoition l o ( ) ne ne a ( ) o ( max ) ne c i F k k c c ( c ) o ( ) l c i loc ne o F F i ex ex RT RT ei ei ei ei Ea Q H Wc A ex[ ] c dc dt ei A ei ei Ea ex[ ] c ei ei, ref 7

8 ae dca ae z Ea A ex[ ]ex[ ] c dt z a anode electrolyte reaction ae a-e ae ae z Ea c z RT Q H W A ex[ ]ex[ ] c a ae dz a-e z Ea A ex[ ]ex[ ] c dt z a cathode electrolyte reaction electrolyte decomoition reaction thermal runaway heat Q H W A ce E (1 )ex[ ] ce ce ce ce ce a d dt ce A ce E (1 )ex[ ] ce ce ce a e e e e Ea Q H We A ex[ ] c dc dt tr e e e Ea A ex[ ] ce Q Q Q Q Q ei a e ce e e Mechanical model 6 Governin u ( F ) F X L S equation t Governin equation j= St r Q, r r j j r t St V Short circuit model 6, 7 Thermal model 4, 8 Meltin of earator and current collector Electric conductivity Governin equation dc dt dc dt A e E ex[ ] c e e a cc A cc cc Ea ex[ ] c cc cc cc, e *(1 ce ) c cc e cc e e e e ( T C ),, u T q Q q kt t 8

9 Q = Q Q Q ba t tr Boundary condition cell -nq h ( T T ) fl amb nq 4 4 df Df B D ( Tamb T ), Nomenclature A : Arrheniu contant (1) A v: active ecific urface area c: concentration ( mol/m ) c ei : dimenionle amount of lithium-containin metatable ecie in the olid electrolyte interhae (SEI) (1) : initial value of the dimenionle amount of lithium-containin metatable ecie in c ei the SEI (1) c a c a : dimenionle amount of lithium intercalated within carbon (1) : initial value of the dimenionle amount of lithium intercalated within carbon (1) c cc : dimenionle amount of olid hae of current collector (1) : dimenionle concentration of electrolyte (1) c e : initial value of the dimenionle concentration of electrolyte (1) c e c e : dimenionle amount of olid hae of earator (1) C : heat caacity ( J/(k K) ) D: diffuion coefficient ( m / ) E : Youn modulu (MPa) 9

10 E E a : Potential (V) : exerimental activation enery (J/mol) 4 F : Faraday contant ( C/mol ) H : heat tranfer coefficient(j/) h : heat tranfer coefficient ( W/(m K) ) I : current (A) i : current denity ( A/m ) i : exchane current denity ( A/m ) i loc : local intercalation current denity ( A/m ) i dl : double layer current denity ( A/m ) k: thermal conductivity ( W/(m K) ) SOC : tate of chare value t : time () t + : tranfer data W c W : volume-ecific carbon content ( /m ) : volume-ecific oitive active content ( /m ) W e volume-ecific electrolyte content in the jellyroll ( /m ) z : dimenionle meaure of the SEI layer thickne (1) z : reference dimenionle meaure of the SEI layer thickne (1) Q : heat ource ( W/m ) 1

11 Qba : heat for battery model ( W/m ) Qt : heat from the hort-circuit model ( W/m ) Qtr : heat from the thermal runaway model ( W/m ) q: heat flux ( W/m ) q fl : heat flux by conduction ( W/m ) q df R : heat flux by radiation ( W/m ) : radiu (mm) R Rr : a contant : reitance ( ) : molar flux of lithium at the article urface R : tranfer data t T: temerature (K) T abm : Ambient temerature : converion deree (1) : initial value of the converion deree (1) m : ratio of tenion and comreion (1) : denity ( k/m ) 8 4 B D : Stefan Boltzmann contant ( W/(m K ) ) : yield tre (MPa) : latic train (1) 11

12 : thickne (mm) ò: volume fraction : train (1) Df : urface emiivity (1) : electrical conductivity (S/m) : initial electrical conductivity (S/m) e : electrical conductivity after meltin (S/m) : Poion ratio :Stoichiometric coefficient of the intercalatin ecie v : otential (V) dlnf 1 d ln l c : molar activity coefficient Subcrit eff: modified Suercrit a-e: anode electrolyte reaction c-e: cathode electrolyte reaction cell: the cell (LIB) cov: cover hell 1

13 e: electrolyte decomoition eq: equilibrium D: diffuion LB: lithium-ion battery l: liquid (electrolyte) ncc: neative collector ne: neative electrode cc: oitive collector o: oitive electrode ei: SEI decomoition reaction : olid (electrode) e: earator ol: olution St: hort-circuit model 1

14 Sulementary Video Video 1. Exeriment roce of triered internal hort-circuit and thermal runway of lithium-ion ouch cell at 95% SOC. Video. Multihyic ub-model imulation roce of lithium-ion ouch cell with 95% SOC by mechanical indentation. Video. Multihyic ub-model imulation roce of lithium-ion ouch cell with 6% SOC by mechanical indentation. Reference 1. C. M. Doyle, T. F. Fuller and J. S. Newman, Journal of The Electrochemical Society, 199, 14, T. F. Fuller, M. Doyle and J. Newman, Journal of the Electrochemical Society, 1994, 141, C. M. Doyle, Doctor, Univerity of California, T. D. Hatchard, D. D. Macneil, A. Bau and J. R. Dahn, Journal of the Electrochemical Society, 1, 148, A755-A G. H. Kim, A. Pearan and R. Sotnitz, J. Power Source, 7, 17, B. Liu, H. Zhao, H. Yu, J. Li and J. Xu, Electrochimica Acta, 17, DOI: htt://doi.or/1.116/j.electacta B. Liu, S. Yin and J. Xu, Alied Enery, 16, 18, K.-C. Chiu, C.-H. Lin, S.-F. Yeh, Y.-H. Lin and K.-C. Chen, J. Power Source, 14, 51,